1-ethyl-4-methyl-2-{2-[(2-methylpropyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-{2-[(2-methylpropyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-{2-[(2-methylpropyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C066-5412 |
| Compound Name: | 1-ethyl-4-methyl-2-{2-[(2-methylpropyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 266.34 |
| Molecular Formula: | C14 H22 N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(NCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3705 |
| logD: | -0.4288 |
| logSw: | -1.6558 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.854 |
| InChI Key: | ROENUFOIRYDMRC-UHFFFAOYSA-N |