3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid
Chemical Structure Depiction of
3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid
3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid
Compound characteristics
| Compound ID: | R052-2689 |
| Compound Name: | 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C17 H19 N O4 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCC(O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6807 |
| logD: | -0.1267 |
| logSw: | -3.014 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.305 |
| InChI Key: | DRQOUNYZSAKEJG-UHFFFAOYSA-N |