XBG
Summary
| Name: | (2S,3AS,6AS)-OCTAHYDROCYCLOPENTA[B]PYRROLE-2-CARBOXYLIC-ACID |
| Formula: | C8 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 155.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[d]pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1NC2CCCC2C1 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 |
| SMILES | CACTVS | 3.352 | OC(=O)[CH]1C[CH]2CCC[CH]2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C1CC2CC(NC2C1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | OQHKEWIEKYQINX-ACZMJKKPSA-N |
