VAI
Summary
| Name: | (2S)-2-amino-3-methylbutane-1,1-diol |
| Formula: | C5 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 119.162 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-3-methylbutane-1,1-diol |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-3-methyl-butane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(O)C(N)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H](N)C(O)O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](N)C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)[C@@H](C(O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)C(C(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H13NO2/c1-3(2)4(6)5(7)8/h3-5,7-8H,6H2,1-2H3/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | DGPFFTCLBDZSBH-BYPYZUCNSA-N |
