5-[(2H-1,3-benzodioxol-5-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
5-[(2H-1,3-benzodioxol-5-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
Compound characteristics
| Compound ID: | 3914-0080 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-3,3-dimethyl-5-oxopentanoic acid |
| Molecular Weight: | 279.29 |
| Molecular Formula: | C14 H17 N O5 |
| Smiles: | CC(C)(CC(O)=O)CC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6732 |
| logD: | -0.8626 |
| logSw: | -2.1494 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.887 |
| InChI Key: | RYEXWDNLTAIVKC-UHFFFAOYSA-N |