A1A2I
Summary
| Name: | (2S)-2-(aminomethyl)-3-methylbutanoic acid |
| Formula: | C6 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 131.173 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-(aminomethyl)-3-methylbutanoic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(aminomethyl)-3-methyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)C(CN)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO2/c1-4(2)5(3-7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1 |
| InChIKey | InChI | 1.06 | UUQYMNPVPQLPID-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](CN)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](CN)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](CN)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(CN)C(=O)O |
