5-(ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
Chemical Structure Depiction of
5-(ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
5-(ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid
Compound characteristics
| Compound ID: | 2895-0167 |
| Compound Name: | 5-(ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrole-2-carboxylic acid |
| Molecular Weight: | 225.24 |
| Molecular Formula: | C11 H15 N O4 |
| Smiles: | CCc1c(C)c(C(=O)OCC)[nH]c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7978 |
| logD: | -0.439 |
| logSw: | -1.3517 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.575 |
| InChI Key: | MKNHWTOENPMOPQ-UHFFFAOYSA-N |