A1CIL
Summary
| Name: | (2R)-2-amino-3-methylbut-3-enoic acid |
| Formula: | C5 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 115.13 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2R)-2-amino-3-methylbut-3-enoic acid |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-azanyl-3-methyl-but-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C=C(C)C(N)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h4H,1,6H2,2H3,(H,7,8)/t4-/m1/s1 |
| InChIKey | InChI | 1.06 | CJNBBWGXTPGZRW-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=C)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(=C)[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=C)C(C(=O)O)N |
