2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine
TL;DR: 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine (CAS 113561-33-4) is a chemical compound with molecular formula C10H16N2O4S and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-sulfanylpropanoic acid
Also Known As: 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine, 2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-5-((1-carboxy-2-mercaptoethyl)amino)-, 2-ethyl ester, N-[2-(Ethoxycarbonyl)-3,4-dihydro-2H-pyrrol-5-yl]cysteine, 2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-sulfanylpropanoic acid, BRN 5570641
| Molecular Formula | C10H16N2O4S |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 0.083 |
| Topological Polar Surface Area | 87.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.08307 |
| Heavy Atoms | 17 |
| Complexity | 332.26758 |
Chemical Identifiers
| CAS Number | 113561-33-4 |
|---|---|
| SMILES | CCOC(=O)C1CCC(=N1)NC(CS)C(=O)O |
Product Overview
2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine (CAS 113561-33-4), with molecular formula C10H16N2O4S and molecular weight 260.08 g/mol. IUPAC: 2-[(2-ethoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)amino]-3-sulfanylpropanoic acid.
Chemical Property Profile of 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine
Property Insights of 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine
The XLogP value of 0.083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine. The TPSA of 87.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine. Following Lipinski's Rule of Five, 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine 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
Frequently Asked Questions
What is the CAS number of 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine?
The CAS number of 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine is 113561-33-4.
What is the molecular formula of 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine?
The molecular formula of 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine is C10H16N2O4S.
What is the molecular weight of 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine?
The molecular weight of 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine is 260.08 g/mol.
Where can I buy 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine?
You can request a quote for 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Carboxy-2-mercaptoethylimino)-5-ethoxycarbonylpyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.