2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
Chemical Structure Depiction of
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
Compound characteristics
| Compound ID: | 0242-0592 |
| Compound Name: | 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C13 H13 N O4 |
| Smiles: | CC(C)C(C(O)=O)N1C(c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.845 |
| logD: | -2.2826 |
| logSw: | -2.2202 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.132 |
| InChI Key: | UUIPGCXIZVZSEC-JTQLQIEISA-N |