A1CAB
Summary
| Name: | (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid |
| Formula: | C5 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 113.115 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)C1CCC=N1 |
| InChI | InChI | 1.06 | InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1 |
| InChIKey | InChI | 1.06 | DWAKNKKXGALPNW-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCC=N1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCC=N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[C@H](N=C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CC(N=C1)C(=O)O |
