5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid
Chemical Structure Depiction of
5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid
5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid
Compound characteristics
| Compound ID: | 2895-0154 |
| Compound Name: | 5-(ethoxycarbonyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid |
| Molecular Weight: | 283.28 |
| Molecular Formula: | C13 H17 N O6 |
| Smiles: | CCOC(c1c(C)c(CCC(=O)OC)c(C(O)=O)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.215 |
| logD: | -1.4843 |
| logSw: | -0.9892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.154 |
| InChI Key: | JOYMAARHTVEQEK-UHFFFAOYSA-N |