4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-4-oxo-2-(oxolan-2-yl)butanoic acid
Chemical Structure Depiction of
4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-4-oxo-2-(oxolan-2-yl)butanoic acid
4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-4-oxo-2-(oxolan-2-yl)butanoic acid
Compound characteristics
| Compound ID: | 3075-0779 |
| Compound Name: | 4-{[2-(2H-1,3-benzodioxol-5-yl)ethyl]amino}-4-oxo-2-(oxolan-2-yl)butanoic acid |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C17 H21 N O6 |
| Smiles: | C1CC(C(CC(NCCc2ccc3c(c2)OCO3)=O)C(O)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2393 |
| logD: | -2.481 |
| logSw: | -2.0698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.215 |
| InChI Key: | LYCIEYFODKZDIE-UHFFFAOYSA-N |