3K4
Summary
| Name: | (2S,3S)-3-methylaziridine-2-carboxylic acid |
| Formula: | C4 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 101.104 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,3S)-3-methylaziridine-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,3S)-3-methylaziridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NC1C |
| InChI | InChI | 1.03 | InChI=1S/C4H7NO2/c1-2-3(5-2)4(6)7/h2-3,5H,1H3,(H,6,7)/t2-,3-/m0/s1 |
| InChIKey | InChI | 1.03 | QOISFPILRGBKKL-HRFVKAFMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1N[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1[C@H](N1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(N1)C(=O)O |
