3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid
Structure Info
- Chemspace ID
- CSSB00000062412 (In-Stock Building Blocks)
- CAS
- 77269-66-0
- MFCD
- MFCD06203229, MFCD06203229
- IUPAC Name
- 3-(2H-1,3-benzodioxol-5-yl)-2-methylpropanoic acid
- Mol formula
- C11H12O4
- Mol weight
- 208 Da
- Catalog Number(s)
- 206582, 77269-66-0, A159002355, AA003HJM, ACM77269660, AG154784, AGN-PC-0UB9ZU, AGNPC-0UB9ZU, AKOS000314076, ArZ-UP519643, B030363, BB05-3258, BB050023, BB4LS-EN300-92729, BBV-227190, BD305974, CD11059219, CDA26966, CS-0264408, CSC000062412, EN300-92729, F426858, HY-W201743, JH476383, LN00270027, M289765, OSSL_085708, P42771, PBMR131713, SAB-051182, ST003J36, STK351235, TX003IS2, UZI/2177449, ZX-RC057768
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.22
- Heavy atoms count
- 15
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00000062412
Items Overall 4 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 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 | 19.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 23.00 |
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Substructure Analogs
![Chemical structure of (2S)-3-amino-2-[(2H-1,3-benzodioxol-5-yl)methyl]propanoic acid - CSSB00010178360](/st/structure/200/15ecf04ba60f60bdf9228bb11b0d30c0/NC%255BC%2540H%255D%2528CC1%253DCC%253DC2OCOC2%253DC1%2529C%2528O%2529%253DO.png)
![Chemical structure of (2R)-3-amino-2-[(2H-1,3-benzodioxol-5-yl)methyl]propanoic acid - CSSB00010178361](/st/structure/200/524d74420ef566d1ce30be67fd5502a5/NC%255BC%2540%2540H%255D%2528CC1%253DCC%253DC2OCOC2%253DC1%2529C%2528O%2529%253DO.png)
![Chemical structure of 3-amino-2-[(2H-1,3-benzodioxol-5-yl)methyl]propanoic acid hydrochloride - CSSB00102887564](/st/structure/200/11fb74cb37d9848e01e7a8f400fde065/Cl.NCC%2528CC1%253DCC%253DC2OCOC2%253DC1%2529C%2528O%2529%253DO.png)
![Chemical structure of (2R)-3-amino-2-[(2H-1,3-benzodioxol-5-yl)methyl]propanoic acid hydrochloride - CSSB00161151521](/st/structure/200/515c136f22a43e6f93d41bdd89890ad8/Cl.NC%255BC%2540%2540H%255D%2528CC1%253DCC%253DC2OCOC2%253DC1%2529C%2528O%2529%253DO.png)
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