A1EAI
Summary
| Name: | (2~{S},3~{Z})-3-ethylideneazetidine-2-carboxylic acid |
| Synonyms: | 3-Ethylidene-L-azetidine-2-carboxylic acid |
| Formula: | C6 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 127.141 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{Z})-3-ethylideneazetidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H9NO2/c1-2-4-3-7-5(4)6(8)9/h2,5,7H,3H2,1H3,(H,8,9)/b4-2-/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | LCXPHUZMYBUAOG-PSRSYCBASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C/C=C1/CN[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CC=C1CN[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C=C\1/CN[C@@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=C1CNC1C(=O)O |
