4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid
4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y200-6098 |
| Compound Name: | 4-[3-(methoxycarbonyl)anilino]-4-oxobutanoic acid |
| Molecular Weight: | 251.24 |
| Molecular Formula: | C12 H13 N O5 |
| Smiles: | COC(c1cccc(c1)NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0609 |
| logD: | -1.8885 |
| logSw: | -1.962 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.946 |
| InChI Key: | FXYTWWGVMMDECP-UHFFFAOYSA-N |