Methyl 3-(benzylamino)-2-methylpropanoate
TL;DR: Methyl 3-(benzylamino)-2-methylpropanoate (CAS 4010-62-2) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(benzylamino)-2-methylpropanoate
Also Known As: methyl 3-(benzylamino)-2-methylpropanoate, D-S-Isoamylcysteine, methyl3-(benzylamino)-2-methylpropanoate, METHYL3- -2-METHYLPROPANOATE, Methyl 3-((phenylmethyl)amino)isobutyrate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 4010-62-2 |
|---|---|
| SMILES | CC(CNCC1=CC=CC=C1)C(=O)OC |
| InChIKey | AMFQVMBTZNGVDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(benzylamino)-2-methylpropanoate (CAS 4010-62-2), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: methyl 3-(benzylamino)-2-methylpropanoate.
Chemical Property Profile of Methyl 3-(benzylamino)-2-methylpropanoate
Property Insights of Methyl 3-(benzylamino)-2-methylpropanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(benzylamino)-2-methylpropanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 3-(benzylamino)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(benzylamino)-2-methylpropanoate 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-(benzylamino)-2-methylpropanoate?
The CAS number of Methyl 3-(benzylamino)-2-methylpropanoate is 4010-62-2.
What is the molecular formula of Methyl 3-(benzylamino)-2-methylpropanoate?
The molecular formula of Methyl 3-(benzylamino)-2-methylpropanoate is C12H17NO2.
What is the molecular weight of Methyl 3-(benzylamino)-2-methylpropanoate?
The molecular weight of Methyl 3-(benzylamino)-2-methylpropanoate is 207.13 g/mol.
Where can I buy Methyl 3-(benzylamino)-2-methylpropanoate?
You can request a quote for Methyl 3-(benzylamino)-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(benzylamino)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(benzylamino)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.