rel-(2R,3R)-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
Chemical Structure Depiction of
rel-(2R,3R)-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
rel-(2R,3R)-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
Compound characteristics
| Compound ID: | C430-0018 |
| Compound Name: | rel-(2R,3R)-3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid |
| Molecular Weight: | 247.29 |
| Molecular Formula: | C14 H17 N O3 |
| Smiles: | CCC(C)[C@@H](C(O)=O)N1Cc2ccccc2C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7926 |
| logD: | -1.8885 |
| logSw: | -2.5344 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.691 |
| InChI Key: | SDNDNHOVHJTJPB-ACGXKRRESA-N |