3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
Chemical Structure Depiction of
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
Compound characteristics
| Compound ID: | R052-2013 |
| Compound Name: | 3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid |
| Molecular Weight: | 251.24 |
| Molecular Formula: | C12 H13 N O5 |
| Smiles: | COc1cc(/C=C/C(O)=O)ccc1OCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5672 |
| logD: | -2.6234 |
| logSw: | -1.4915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.226 |
| InChI Key: | ZDPCLIUSUWFDLB-UHFFFAOYSA-N |