TL;DR: 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-[ amino]-2-oxoethyl]ester (CAS 571926-41-5) is a chemical compound with molecular formula C15H22N2O5 and molecular weight 310.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-O-ethyl 4-O-[2-oxo-2-(propan-2-ylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-[ amino]-2-oxoethyl]ester, 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-ethyl 4-[2-[(1-methylethyl)amino]-2-oxoethyl] ester (9CI), 2-O-ethyl 4-O-[2-oxo-2-(propan-2-ylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C15H22N2O5 |
| Molecular Weight | 310.15286 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 97.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.15286 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC(C)C)C |
| InChIKey | ZWUOIJITCAAXTM-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-[ amino]-2-oxoethyl]ester. The TPSA of 97.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-[ amino]-2-oxoethyl]ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-[ amino]-2-oxoethyl]ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-[ amino]-2-oxoethyl]ester is 571926-41-5.
The molecular formula of 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-[ amino]-2-oxoethyl]ester is C15H22N2O5.
The molecular weight of 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,2-ethyl4-[2-[ amino]-2-oxoethyl]ester is 310.15286 g/mol.
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