2-[1-carboxy-3-(methylsulfanyl)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Chemical Structure Depiction of
2-[1-carboxy-3-(methylsulfanyl)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
2-[1-carboxy-3-(methylsulfanyl)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Compound characteristics
| Compound ID: | 4483-2931 |
| Compound Name: | 2-[1-carboxy-3-(methylsulfanyl)propyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| Molecular Weight: | 323.32 |
| Molecular Formula: | C14 H13 N O6 S |
| Smiles: | CSCCC(C(O)=O)N1C(c2ccc(cc2C1=O)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6611 |
| logD: | -2.4972 |
| logSw: | -2.4317 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.505 |
| InChI Key: | CRBKJEFFAOMOCL-JTQLQIEISA-N |