N-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-beta-alanine
N-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-beta-alanine
Compound characteristics
| Compound ID: | 5823-0169 |
| Compound Name: | N-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]-beta-alanine |
| Molecular Weight: | 290.27 |
| Molecular Formula: | C14 H14 N2 O5 |
| Smiles: | C(CNC(CCN1C(c2ccccc2C1=O)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7321 |
| logD: | -3.4278 |
| logSw: | -2.0862 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.438 |
| InChI Key: | PBUSNCVGCUEFKN-UHFFFAOYSA-N |