4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobut-2-enoic acid
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 2759-0822 |
| Compound Name: | 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 279.29 |
| Molecular Formula: | C14 H17 N O5 |
| Smiles: | COc1ccc(CCNC(\C=C/C(O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.9223 |
| logD: | -3.1229 |
| logSw: | -1.8506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.196 |
| InChI Key: | JPUUXDFBHSYRHR-UHFFFAOYSA-N |