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 |