Methyl 3-(N-benzylamino)propionate
TL;DR: Methyl 3-(N-benzylamino)propionate (CAS 23574-01-8) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(benzylamino)propanoate
Also Known As: methyl 3-(benzylamino)propanoate, Almoxatone, methyl N-benzyl-beta-alaninate, METHYL 3-(N-BENZYLAMINO)PROPIONATE, N-Benzyl-b-alanine methyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 23574-01-8 |
|---|---|
| SMILES | COC(=O)CCNCC1=CC=CC=C1 |
| InChIKey | MVZIUHUSHIYYGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(N-benzylamino)propionate (CAS 23574-01-8), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 3-(benzylamino)propanoate.
Chemical Property Profile of Methyl 3-(N-benzylamino)propionate
Property Insights of Methyl 3-(N-benzylamino)propionate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(N-benzylamino)propionate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 3-(N-benzylamino)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(N-benzylamino)propionate 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 3-(N-benzylamino)propionate?
The CAS number of Methyl 3-(N-benzylamino)propionate is 23574-01-8.
What is the molecular formula of Methyl 3-(N-benzylamino)propionate?
The molecular formula of Methyl 3-(N-benzylamino)propionate is C11H15NO2.
What is the molecular weight of Methyl 3-(N-benzylamino)propionate?
The molecular weight of Methyl 3-(N-benzylamino)propionate is 193.11 g/mol.
Where can I buy Methyl 3-(N-benzylamino)propionate?
You can request a quote for Methyl 3-(N-benzylamino)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(N-benzylamino)propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(N-benzylamino)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.