1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
TL;DR: 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester (CAS 59857-86-2) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-5-oxopyrrolidine-3-carboxylate
Also Known As: methyl 1-methyl-5-oxopyrrolidine-3-carboxylate, Methyl 1-Methyl-2-oxopyrrolidine-4-carboxylate, 1-Methyl-5-oxo-3-pyrrolidinecarboxylic acid methyl ester, 4-carbomethoxy-1-methyl-pyrrolidone, 1-Methyl-4-methyloxycarbonyl-2-pyrrolidone
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 59857-86-2 |
|---|---|
| SMILES | CN1CC(CC1=O)C(=O)OC |
| InChIKey | JFZRRXGXEHUJCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester (CAS 59857-86-2), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: methyl 1-methyl-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
Property Insights of 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
The XLogP value of -0.7 indicates that 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.6 Ų, 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester 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 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
The CAS number of 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is 59857-86-2.
What is the molecular formula of 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
The molecular formula of 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is C7H11NO3.
What is the molecular weight of 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
The molecular weight of 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester is 157.07 g/mol.
Where can I buy 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
You can request a quote for 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.