Tert-butyl (3aS,7aR)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate
Structure Info
- Chemspace ID
- CSSB00015805400 (In-Stock Building Blocks)
- CAS
- 1257389-94-8, 351362-72-6
- MFCD
- MFCD16294636, MFCD22035710, MFCD16294636
- IUPAC Name
- tert-butyl (3aS,7aR)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate
- Mol formula
- C12H22N2O2
- Mol weight
- 226 Da
- Catalog Number(s)
- 75R1324, AA02065J, ACPBJY432, AG02068B, AKOS022687601, AT13223, BBLS00015805400, BBLS20620668139, BBV-83190402, BD00798498, CM106303, CSC015805400, D684646, F93712, FCH4000635, IMED3242054869, OR1159240, PBWB100332, PS-19580, S75973, TX0207DZ, Y1348932, Y1374638, bbls00015805400, bbls20620668139
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.68
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.916
- Polar surface area (Å)
- 42
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
![Chemical structure of Tert-butyl (3aS,7aR)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate (C12H22N2O2) - CSSB00015805400](/st/structure/200/a3dee0b0ab28f423832e44128264875c/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540H%255D2CNC%255BC%2540H%255D2C1.png "C12H22N2O2")
- Zoom the structure
- CSSB00015805400
Items Overall 22 items from 5 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 50 mg | 437.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 100 mg | 547.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 250 mg | 657.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 500 mg | 877.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 1 g | 1,097.80 | |
| J&W PharmLab, LLC. | 3 days | United States To: | 96 | 5 g | 4,397.80 | |
Description: cis-Octahydro-pyrrolo[3,4-c]pyridine-5-carboxylic acid tert-butyl ester; CAS: 1257389-94-8 | ||||||
| BB4LS US | 5 days | United States To: | 96 | 50 umol | 425.54 | |
| BB4LS US | 5 days | United States To: | 96 | 100 umol | 433.42 | |
| BB4LS US | 5 days | United States To: | 96 | 200 umol | 552.18 | |
| BB4LS US | 5 days | United States To: | 96 | 300 umol | 562.04 | |
| BB4LS US | 5 days | United States To: | 96 | 500 umol | 686.74 | |
| Angene International Limited | 10 days | China To: | 97 | 100 mg | 442.80 | |
| Angene International Limited | 10 days | China To: | 97 | 250 mg | 661.50 | |
| Angene International Limited | 10 days | China To: | 97 | 500 mg | 992.70 | |
| Angene International Limited | 10 days | China To: | 97 | 1 g | 1,686.60 | |
Description: tert-butyl (3aS,7aR)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine-5-carboxylate; CAS: 351362-72-6 | ||||||
| Astatech CN | 10 days | China To: | 95 | 100 mg | 678.70 | |
| Astatech CN | 10 days | China To: | 95 | 250 mg | 1,084.60 | |
| Astatech CN | 10 days | China To: | 95 | 500 mg | 1,806.20 | |
Description: TERT-BUTYL (3AS,7AR)-OCTAHYDRO-5H-PYRROLO[3,4-C]PYRIDINE-5-CARBOXYLATE; CAS: 351362-72-6 | ||||||
| AiFChem CN | 10 days | China To: | 97 | 100 mg | 790.00 | |
| AiFChem CN | 10 days | China To: | 97 | 250 mg | 1,184.00 | |
| AiFChem CN | 10 days | China To: | 97 | 500 mg | 1,777.00 | |
| AiFChem CN | 10 days | China To: | 97 | 1 g | 3,022.00 | |
Description: tert-Butyl (3aS,7aR)-octahydro-5H-pyrrolo[3,4-c]pyridine-5-carboxylate; Hazard statement: H302, H315, H319, H335; CAS: 351362-72-6 | ||||||
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Substructure Analogs
![Chemical structure of rac-tert-butyl (3aR,7aS)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB20620668139](/st/structure/200/382c63bc816c2cbb5ee6d6b1560a66d6/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540H%255D2CNC%255BC%2540H%255D2C1%2B%257C%25261%253A10%252C14%252Cr%257C.png)
![Chemical structure of tert-butyl (3aS,7aR)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride - CSSB02235353779](/st/structure/200/eee11218ec3a966d2ac2b4690fe79adc/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540H%255D2CNC%255BC%2540H%255D2C1.png)
![Chemical structure of rac-tert-butyl (3aR,7aS)-1-oxo-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB02125671465](/st/structure/200/17f90b6d57d4e4fcf3e4429caec7bc4c/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%2540H%255D2%255BC%2540%2540H%255D%2528CNC2%253DO%2529C1%2B%257C%25261%253A10%252C11%252Cr%257C.png)
![Chemical structure of tert-butyl (3aS,7aR)-1-oxo-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB01912755673](/st/structure/200/a6b0dea659c273fb0d31f43a10b06f6f/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%2540H%255D2%255BC%2540%2540H%255D%2528CNC2%253DO%2529C1.png)
![Chemical structure of tert-butyl (3aR,7aR)-2-methyl-3-oxo-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB21176551999](/st/structure/200/bba80d079cef87efb2210afca04517ed/CN1C%255BC%2540%2540H%255D2CCN%2528C%255BC%2540%2540H%255D2C1%253DO%2529C%2528%253DO%2529OC%2528C%2529%2528C%2529C.png)
![Chemical structure of tert-butyl (3aS,7aR)-1,1-difluoro-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB02125931438](/st/structure/200/02414d6e6270c7c9a1f208941d699102/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%2540H%255D2%255BC%2540%2540H%255D%2528CNC2%2528F%2529F%2529C1.png)
![Chemical structure of tert-butyl (3aS,7aR)-7,7-difluoro-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB00135407463](/st/structure/200/f29c0296858b9ec31f21e356d435fe3e/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1C%255BC%2540%2540H%255D2CNC%255BC%2540%2540H%255D2C%2528F%2529%2528F%2529C1.png)
![Chemical structure of rac-tert-butyl (3aR,7aR)-2-(chlorosulfonyl)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB20620675027](/st/structure/200/732fe7e9f5d520eeada5e665a74f9b23/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540H%255D2CN%2528C%255BC%2540H%255D2C1%2529S%2528Cl%2529%2528%253DO%2529%253DO%2B%257C%25261%253A10%252C14%252Cr%257C.png)
Similarity Analogs
![Chemical structure of tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB00000048306](/st/structure/200/8bee9d1a568d4f0d036745713c4bbf1b/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CCC2CNCC2C1.png)
![Chemical structure of tert-butyl (3aS,7aS)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB00015445135](/st/structure/200/5e634003f6e9db06d8c650712599a11c/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%2540H%255D2CNC%255BC%2540H%255D2C1.png)
![Chemical structure of tert-butyl (3aR,7aS)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB00015863095](/st/structure/200/bf3d44d8b20ea90124fc6a258e647f34/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%2540H%255D2CNC%255BC%2540%2540H%255D2C1.png)
![Chemical structure of tert-butyl (3aR,7aR)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate - CSSB00016198783](/st/structure/200/da7a3a38d2d873bbf6bf25e6cd4f103c/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540H%255D2CNC%255BC%2540%2540H%255D2C1.png)
![Chemical structure of tert-butyl octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride - CSSB00016995043](/st/structure/200/88ec1962a8dd3962b96e0bf8a4fa8397/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CCC2CNCC2C1.png)
