Methyl N-ethyl-beta-alaninate
TL;DR: Methyl N-ethyl-beta-alaninate (CAS 3440-30-0) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(ethylamino)propanoate
Also Known As: methyl 3-(ethylamino)propanoate, Methyl N-ethyl-beta-alaninate, methyl n-ethyl-, A-alaninate, Methyl3-(Ethylamino)propanoate
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 3440-30-0 |
|---|---|
| SMILES | CCNCCC(=O)OC |
| InChIKey | KDGSVMQRTUAIDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl N-ethyl-beta-alaninate (CAS 3440-30-0), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: methyl 3-(ethylamino)propanoate.
Chemical Property Profile of Methyl N-ethyl-beta-alaninate
Property Insights of Methyl N-ethyl-beta-alaninate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-ethyl-beta-alaninate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl N-ethyl-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-ethyl-beta-alaninate 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 Methyl N-ethyl-beta-alaninate?
The CAS number of Methyl N-ethyl-beta-alaninate is 3440-30-0.
What is the molecular formula of Methyl N-ethyl-beta-alaninate?
The molecular formula of Methyl N-ethyl-beta-alaninate is C6H13NO2.
What is the molecular weight of Methyl N-ethyl-beta-alaninate?
The molecular weight of Methyl N-ethyl-beta-alaninate is 131.09 g/mol.
Where can I buy Methyl N-ethyl-beta-alaninate?
You can request a quote for Methyl N-ethyl-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-ethyl-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-ethyl-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.