1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
Chemical Structure Depiction of
1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
Compound characteristics
| Compound ID: | Y042-2925 |
| Compound Name: | 1-[3-(methylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid |
| Molecular Weight: | 251.3 |
| Molecular Formula: | C12 H13 N O3 S |
| Smiles: | CSc1cccc(c1)N1CC(CC1=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8707 |
| logD: | -1.4897 |
| logSw: | -1.993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.396 |
| InChI Key: | NHDHIMKQGYJLII-MRVPVSSYSA-N |