2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride
TL;DR: 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride (CAS 79820-12-5) is a chemical compound with molecular formula C13H17ClN2O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-1-benzyl-5-iminopyrrolidine-2-carboxylate;hydrochloride
Also Known As: 1-Benzyl-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride, 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride, Methyl 1-benzyl-5-iminoprolinate--hydrogen chloride (1/1), Methyl 1-benzyl-5-imino-L-prolinate--hydrogen chloride (1/1), methyl (2S)-1-benzyl-5-iminopyrrolidine-2-carboxylate hydrochloride
| Molecular Formula | C13H17ClN2O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.22307 |
| Topological Polar Surface Area | 53.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.09787 |
| Heavy Atoms | 18 |
| Complexity | 422.25925 |
Chemical Identifiers
| CAS Number | 79820-12-5 |
|---|---|
| SMILES | COC(=O)[C@@H]1CCC(=N)N1CC2=CC=CC=C2.Cl |
Product Overview
2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride (CAS 79820-12-5), with molecular formula C13H17ClN2O2 and molecular weight 268.10 g/mol. IUPAC: methyl (2S)-1-benzyl-5-iminopyrrolidine-2-carboxylate;hydrochloride.
Chemical Property Profile of 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride
Property Insights of 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride
The XLogP value of 2.22307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride. With a topological polar surface area (TPSA) of 53.39 Ų, 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride?
The CAS number of 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride is 79820-12-5.
What is the molecular formula of 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride?
The molecular formula of 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride is C13H17ClN2O2.
What is the molecular weight of 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride?
The molecular weight of 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride is 268.10 g/mol.
Where can I buy 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride?
You can request a quote for 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinecarboxylic acid, 1-benzyl-5-imino-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.