3-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoic acid
Structure Info
- Chemspace ID
- CSSB00011780414 (In-Stock Building Blocks)
- CAS
- 143617-89-4
- MFCD
- MFCD01861303, MFCD01861303
- IUPAC Name
- 3-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoic acid
- Mol formula
- C13H17NO4
- Mol weight
- 251 Da
- Catalog Number(s)
- 041684, 4324AD, A132678, ACM143617894, AE99216, AG198509, AGN-PC-0N3GDK, AGNPC-0WH6SQ, BAT-003046, BB4LS-EN300-113738, BBLS00011780414, BBV-36777633, BD226779, C13945, C13945-0.25G, CD12143616, CSC011780414, EN300-113738, IMED3230564822, LN00146737, TX00AQIC, Y3180064, ZXC299755, bbls00011780414
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.06
- Heavy atoms count
- 18
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
![Chemical structure of 3-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoic acid (C13H17NO4) - CSSB00011780414](/st/structure/200/1da467aef5074ed28cc25fc7ff0b241f/CC1%253DC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529C%253DCC%253DC1C%2528O%2529%253DO.png "C13H17NO4")
- Zoom the structure
- CSSB00011780414
Items Overall 26 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 15.00 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 15.00 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 19.00 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 19.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 20.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 50 mg | 19.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 100 mg | 19.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 250 mg | 20.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 500 mg | 32.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 1 g | 40.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 2.5 g | 84.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 5 g | 159.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 10 g | 307.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 15.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 15.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 19.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 19.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 20.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 20.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 32.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 40.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 84.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 159.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 307.00 |
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Substructure Analogs
![Chemical structure of 1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indole-4-carboxylic acid - CSSB00010243527](/st/structure/200/ddb01c4fe246ce46c84cf6b4c4f947da/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CCC2%253DC1C%253DCC%253DC2C%2528O%2529%253DO.png)
![Chemical structure of 3-{[(tert-butoxy)carbonyl]amino}-2,6-dimethylbenzoic acid - CSSB00025786719](/st/structure/200/f34b23ea0d2b03c886ce81a1ab2d0dc3/CC1%253DCC%253DC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529C%2528C%2529%253DC1C%2528O%2529%253DO.png)
![Chemical structure of methyl 3-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoate - CSSB00012223887](/st/structure/200/6aecadcc52157e806865380f99ac59b1/COC%2528%253DO%2529C1%253DCC%253DCC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529%253DC1C.png)
![Chemical structure of 3-{[(tert-butoxy)carbonyl]amino}-2-cyanobenzoic acid - CSSB00010206160](/st/structure/200/4f9a51e8292d415ac24043304397a646/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DCC%253DCC%2528C%2528O%2529%253DO%2529%253DC1C%2523N.png)
![Chemical structure of 3-{[(tert-butoxy)carbonyl]amino}-6-fluoro-2-methylbenzoic acid - CSSB00116215536](/st/structure/200/2877b4df7d03c542076a4c5b61e31dd5/CC1%253DC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529C%253DCC%2528F%2529%253DC1C%2528O%2529%253DO.png)
![Chemical structure of 5-bromo-3-{[(tert-butoxy)carbonyl]amino}-2-methylbenzoic acid - CSSB02126359730](/st/structure/200/57a3944fe3dc1071a6b8a5ffb16d0eea/CC1%253DC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529C%253DC%2528Br%2529C%253DC1C%2528O%2529%253DO.png)
![Chemical structure of 1-[(tert-butoxy)carbonyl]-7-methyl-2,3-dihydro-1H-indole-6-carboxylic acid - CSSB20621655578](/st/structure/200/150cf131a8d241212a837c883e0d123d/CC1%253DC2N%2528CCC2%253DCC%253DC1C%2528O%2529%253DO%2529C%2528%253DO%2529OC%2528C%2529%2528C%2529C.png)
Similarity Analogs
![Chemical structure of 4-{[(tert-butoxy)carbonyl]amino}-2,3-dimethylbenzoic acid - CSSB00116223622](/st/structure/200/e302b2cdd6cb483bfae54d221c15ee92/CC1%253DC%2528C%2529C%2528%253DCC%253DC1NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529C%2528O%2529%253DO.png)
![Chemical structure of 2-{[(tert-butoxy)carbonyl]amino}benzoic acid - CSSB00000744083](/st/structure/200/b1e4735239824bb64fa272112c0ccb0f/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DCC%253DCC%253DC1C%2528O%2529%253DO.png)
![Chemical structure of 3-({[(tert-butoxy)carbonyl]amino}amino)-2-methylbenzoic acid - CSSB21331810662](/st/structure/200/52485a01d7ba10054415986be0121128/CC1%253DC%2528C%253DCC%253DC1NNC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529C%2528O%2529%253DO.png)
![Chemical structure of 3-{[(tert-butoxy)carbonyl]amino}benzene-1,2-dicarboxylic acid - CSSB00010005260](/st/structure/200/c0038cb1f2720191d32376d43026ab50/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DCC%253DCC%2528C%2528O%2529%253DO%2529%253DC1C%2528O%2529%253DO.png)
![Chemical structure of 3-{[(tert-butoxy)carbonyl]amino}-2-fluorobenzoic acid - CSSB00015155616](/st/structure/200/9d43c6e66df6d6728735192680792908/CC%2528C%2529%2528C%2529OC%2528%253DO%2529NC1%253DCC%253DCC%2528C%2528O%2529%253DO%2529%253DC1F.png)
![Chemical structure of tert-butyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate - CSSB00012224047](/st/structure/200/9dce8403012e4757bcdbe2b7df912ed5/CNC%2528%253DO%2529C1%253DCC%253DCC%2528NC%2528%253DO%2529OC%2528C%2529%2528C%2529C%2529%253DC1C.png)
