BIB
Summary
| Name: | BETA-AMINO ISOBUTYRATE |
| Formula: | C4 H8 N O2 |
| Formal charge: | -1 |
| Formula weight: | 102.112 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-3-amino-2-methylpropanoate |
| OpenEye OEToolkits | 1.5.0 | (2S)-3-amino-2-methyl-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]C(=O)C(C)CN |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CN)C([O-])=O |
| SMILES | CACTVS | 3.341 | C[CH](CN)C([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CN)C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CN)C(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | QCHPKSFMDHPSNR-VKHMYHEASA-M |
