3-[1-butyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
Chemical Structure Depiction of
3-[1-butyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
3-[1-butyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid
Compound characteristics
| Compound ID: | 5862-0084 |
| Compound Name: | 3-[1-butyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid |
| Molecular Weight: | 285.38 |
| Molecular Formula: | C18 H23 N O2 |
| Smiles: | CCCCn1c(CCC(O)=O)ccc1c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6057 |
| logD: | 1.7919 |
| logSw: | -4.0671 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.286 |
| InChI Key: | IPRBVHYWBOIIRI-UHFFFAOYSA-N |