3GV
Summary
| Name: | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| Formula: | C11 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 221.209 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-1-(2-hydroxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N(c1c(O)cccc1)CC(C(=O)O)C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H]1CN(C(=O)C1)c2ccccc2O |
| SMILES | CACTVS | 3.341 | OC(=O)[CH]1CN(C(=O)C1)c2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)N2CC(CC2=O)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | FPQOSKXLHCTVED-ZETCQYMHSA-N |
