2-(2-methylpropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Chemical Structure Depiction of
2-(2-methylpropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
2-(2-methylpropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid
Compound characteristics
| Compound ID: | D216-0416 |
| Compound Name: | 2-(2-methylpropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxylic acid |
| Molecular Weight: | 233.26 |
| Molecular Formula: | C13 H15 N O3 |
| Smiles: | CC(C)CN1Cc2cccc(C(O)=O)c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.3467 |
| logD: | -1.4533 |
| logSw: | -2.6509 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.564 |
| InChI Key: | KFXDPJMOALONTC-UHFFFAOYSA-N |