2-[2-acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]butanoic acid
Chemical Structure Depiction of
2-[2-acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]butanoic acid
2-[2-acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]butanoic acid
Compound characteristics
| Compound ID: | 8008-4155 |
| Compound Name: | 2-[2-acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enamido]butanoic acid |
| Molecular Weight: | 334.33 |
| Molecular Formula: | C16 H18 N2 O6 |
| Smiles: | CCC(C(O)=O)NC(/C(=C\c1ccc2c(c1)OCO2)NC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1164 |
| logD: | -3.2504 |
| logSw: | -1.94 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.173 |
| InChI Key: | GXZVRQITTAVVOD-NSHDSACASA-N |