2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester
TL;DR: 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester (CAS 113561-32-3) is a chemical compound with molecular formula C12H20N2O4S and molecular weight 288.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-methyl-3-sulfanylbutanoic acid
Also Known As: 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester, N-[2-(Ethoxycarbonyl)-3,4-dihydro-2H-pyrrol-5-yl]-3-sulfanylvaline, 2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-methyl-3-sulfanylbutanoic acid, BRN 5577136
Technical Specifications
| Molecular Formula | C12H20N2O4S |
| Molecular Weight | 288.11438 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 89.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 288.11438 Da |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
| SMILES | CCOC(=O)C1CCC(=N1)NC(C(=O)O)C(C)(C)S |
| InChIKey | XYMKUTJACRZQTR-UHFFFAOYSA-N |
Chemical Property Profile of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester
Property Insights of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester. Following Lipinski's Rule of Five, 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester?
The CAS number of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester is 113561-32-3.
What is the molecular formula of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester?
The molecular formula of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester is C12H20N2O4S.
What is the molecular weight of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester?
The molecular weight of 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester is 288.11438 g/mol.
Where can I buy 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester?
You can request a quote for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercapto-2-methylpropyl)amino)-, 2-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.