4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutanoic acid
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 6049-1546 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 251.24 |
| Molecular Formula: | C12 H13 N O5 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4029 |
| logD: | -2.5465 |
| logSw: | -1.8851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.209 |
| InChI Key: | ZGGBPHCYDTUFGI-UHFFFAOYSA-N |