Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester
TL;DR: Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester (CAS 68758-86-1) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(methylamino)-4-oxobutanoate
Also Known As: Methyl N-methyl succinamate, Methyl 4-(methylamino)-4-oxobutyrate, methyl4- -4-oxobutyrate, methyl 4-(methylamino)-4-oxobutanoate, N-Methyl-3-(methoxycarbonyl)propionamide
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 68758-86-1 |
|---|---|
| SMILES | CNC(=O)CCC(=O)OC |
| InChIKey | DLCZEMNBMNTMGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester (CAS 68758-86-1), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: methyl 4-(methylamino)-4-oxobutanoate.
Chemical Property Profile of Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester
Property Insights of Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester
The XLogP value of -0.7 indicates that Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester 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 Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester?
The CAS number of Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester is 68758-86-1.
What is the molecular formula of Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester?
The molecular formula of Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester is C6H11NO3.
What is the molecular weight of Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester?
The molecular weight of Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester is 145.07 g/mol.
Where can I buy Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester?
You can request a quote for Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(methylamino)-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.