037
Summary
| Name: | (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid |
| Formula: | C8 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 155.194 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid |
| OpenEye OEToolkits | 1.7.2 | (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCC2CCCC12 |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO2/c10-8(11)7-6-3-1-2-5(6)4-9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | KWRNCAUXSJOYQO-ACZMJKKPSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@H]1NC[C@@H]2CCC[C@H]12 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH]1NC[CH]2CCC[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | C1CC2CNC(C2C1)C(=O)O |
