Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
TL;DR: Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate (CAS 51535-00-3) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
Also Known As: Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate, Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate, Bionet2_000906, 1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester, 2-(2-cyclohexylethyl)piperidine
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
| Solubility | >35 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 51535-00-3 |
|---|---|
| SMILES | COC(=O)C1CC(=O)N(C1)CC2=CC=CC=C2 |
| InChIKey | WTRWSSDZHQOPJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate (CAS 51535-00-3), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
Property Insights of Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate has 0 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 Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The CAS number of Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate is 51535-00-3.
What is the molecular formula of Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The molecular formula of Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate is C13H15NO3.
What is the molecular weight of Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The molecular weight of Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate is 233.11 g/mol.
Where can I buy Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate?
You can request a quote for Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.