PUE
Summary
| Name: | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid |
| Formula: | C11 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | IOFLKIRLUFZCHR-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCN(C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCN(C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CC[C@H](C2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCC(C2)C(=O)O |
