2-Aminobutyric acid methyl ester
TL;DR: 2-Aminobutyric acid methyl ester (CAS 7682-18-0) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-aminobutanoate
Also Known As: Methyl 2-aminobutanoate, Methyl 2-aminobutyrate, (S)-methyl 2-aminobutanoate, Methyl2-aminobutanoate, Methyl -2-aminobutanoate
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 7682-18-0 |
|---|---|
| SMILES | CCC(C(=O)OC)N |
| InChIKey | ZZWPOYPWQTUZDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Aminobutyric acid methyl ester (CAS 7682-18-0), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: methyl 2-aminobutanoate.
Chemical Property Profile of 2-Aminobutyric acid methyl ester
Property Insights of 2-Aminobutyric acid methyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminobutyric acid methyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, 2-Aminobutyric acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Aminobutyric acid 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 2-Aminobutyric acid methyl ester?
The CAS number of 2-Aminobutyric acid methyl ester is 7682-18-0.
What is the molecular formula of 2-Aminobutyric acid methyl ester?
The molecular formula of 2-Aminobutyric acid methyl ester is C5H11NO2.
What is the molecular weight of 2-Aminobutyric acid methyl ester?
The molecular weight of 2-Aminobutyric acid methyl ester is 117.08 g/mol.
Where can I buy 2-Aminobutyric acid methyl ester?
You can request a quote for 2-Aminobutyric 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 2-Aminobutyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Aminobutyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.