WE5
Summary
| Name: | methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate |
| Formula: | C12 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 219.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (3R)-5-oxo-1-phenylpyrrolidine-3-carboxylate |
| OpenEye OEToolkits | 2.0.7 | methyl (3~{R})-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C1CC(=O)N(C1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C12H13NO3/c1-16-12(15)9-7-11(14)13(8-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | OIAHHVOKOCPNJP-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H]1CN(C(=O)C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1CN(C(=O)C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@@H]1CC(=O)N(C1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1CC(=O)N(C1)c2ccccc2 |
