PQT
Summary
| Name: | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid |
| Formula: | C11 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 225.671 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | FPGYADRKFPWWLU-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCN(C1)c2ccccc2Cl |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCN(C1)c2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CCC(C2)C(=O)O)Cl |
