4-[(2H-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid
4-[(2H-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y010-0025 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid |
| Molecular Weight: | 237.21 |
| Molecular Formula: | C11 H11 N O5 |
| Smiles: | C(CC(Nc1ccc2c(c1)OCO2)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6227 |
| logD: | -2.3267 |
| logSw: | -1.8157 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.887 |
| InChI Key: | JMRKAGGCXDQMTC-UHFFFAOYSA-N |