N-methyl-beta-alanine
TL;DR: N-methyl-beta-alanine (CAS 2679-14-3) is a chemical compound with molecular formula C4H9NO2 and molecular weight 103.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methylamino)propanoic acid
Also Known As: 3-(methylamino)propanoic acid, N-Methyl-beta-alanine, 3-(METHYLAMINO)PROPIONIC ACID, n-methyl-b-alanine, n-methyl-
| Molecular Formula | C4H9NO2 |
|---|---|
| Molecular Weight | 103.06 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 103.06333 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 2679-14-3 |
|---|---|
| SMILES | CNCCC(=O)O |
| InChIKey | VDIPNVCWMXZNFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-beta-alanine (CAS 2679-14-3), with molecular formula C4H9NO2 and molecular weight 103.06 g/mol. IUPAC: 3-(methylamino)propanoic acid.
Chemical Property Profile of N-methyl-beta-alanine
Property Insights of N-methyl-beta-alanine
The XLogP value of -3.0 indicates that N-methyl-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, N-methyl-beta-alanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-beta-alanine has 2 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 N-methyl-beta-alanine?
The CAS number of N-methyl-beta-alanine is 2679-14-3.
What is the molecular formula of N-methyl-beta-alanine?
The molecular formula of N-methyl-beta-alanine is C4H9NO2.
What is the molecular weight of N-methyl-beta-alanine?
The molecular weight of N-methyl-beta-alanine is 103.06 g/mol.
Where can I buy N-methyl-beta-alanine?
You can request a quote for N-methyl-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.