5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | R010-0017 |
| Compound Name: | 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 211.21 |
| Molecular Formula: | C10 H13 N O4 |
| Smiles: | CCOC(c1c(C)c(C(O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5194 |
| logD: | -1.3512 |
| logSw: | -1.2468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.382 |
| InChI Key: | VZZQCXPDRSMKPM-UHFFFAOYSA-N |