(2RS)-3-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Chemical Structure Depiction of
(2RS)-3-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
(2RS)-3-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Compound characteristics
| Compound ID: | C429-0061 |
| Compound Name: | (2RS)-3-(methylsulfanyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid |
| Molecular Weight: | 251.3 |
| Molecular Formula: | C12 H13 N O3 S |
| Smiles: | CSC[C@H](C(O)=O)N1Cc2ccccc2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0547 |
| logD: | -3.3941 |
| logSw: | -2.3129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.656 |
| InChI Key: | OPZUBEQBQMFUIZ-JTQLQIEISA-N |