2-(Benzylamino)-3-methylbutanoic acid
TL;DR: 2-(Benzylamino)-3-methylbutanoic acid (CAS 16975-39-6) 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.
2-(benzylamino)-3-methylbutanoic acid
Also Known As: N-Benzylvaline, Benzylvaline, 2-(benzylamino)-3-methylbutanoic acid, N-Benzyl-L-valine, N-Benzylvaline #
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 16975-39-6 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NCC1=CC=CC=C1 |
| InChIKey | FJBAOZHBRMLMCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzylamino)-3-methylbutanoic acid (CAS 16975-39-6), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 2-(benzylamino)-3-methylbutanoic acid.
Chemical Property Profile of 2-(Benzylamino)-3-methylbutanoic acid
Property Insights of 2-(Benzylamino)-3-methylbutanoic acid
The XLogP value of -0.6 indicates that 2-(Benzylamino)-3-methylbutanoic acid 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, 2-(Benzylamino)-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylamino)-3-methylbutanoic acid 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 2-(Benzylamino)-3-methylbutanoic acid?
The CAS number of 2-(Benzylamino)-3-methylbutanoic acid is 16975-39-6.
What is the molecular formula of 2-(Benzylamino)-3-methylbutanoic acid?
The molecular formula of 2-(Benzylamino)-3-methylbutanoic acid is C12H17NO2.
What is the molecular weight of 2-(Benzylamino)-3-methylbutanoic acid?
The molecular weight of 2-(Benzylamino)-3-methylbutanoic acid is 207.13 g/mol.
Where can I buy 2-(Benzylamino)-3-methylbutanoic acid?
You can request a quote for 2-(Benzylamino)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylamino)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylamino)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.