![2-[Benzyl(methyl)amino]-3-methylbutanoic acid structure](/static/products/4193/41935-57-3.webp)
2-[Benzyl(methyl)amino]-3-methylbutanoic acid
TL;DR: 2-[Benzyl(methyl)amino]-3-methylbutanoic acid (CAS 41935-57-3) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[benzyl(methyl)amino]-3-methylbutanoic acid
Also Known As: n-benzyl-n-methylvaline, N-Me-Val-OBzl . p-tosylate, N-ME-VAL-OBZLP-TOSYLATE, 2-[benzyl(methyl)amino]-3-methylbutanoic acid, (S)-2-(Benzyl(methyl)amino)-3-methylbutanoic acid
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 41935-57-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N(C)CC1=CC=CC=C1 |
| InChIKey | BLRQXMHAGNJVHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[Benzyl(methyl)amino]-3-methylbutanoic acid (CAS 41935-57-3), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 2-[benzyl(methyl)amino]-3-methylbutanoic acid.
Chemical Property Profile of 2-[Benzyl(methyl)amino]-3-methylbutanoic acid
Property Insights of 2-[Benzyl(methyl)amino]-3-methylbutanoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Benzyl(methyl)amino]-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 2-[Benzyl(methyl)amino]-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Benzyl(methyl)amino]-3-methylbutanoic acid 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 2-[Benzyl(methyl)amino]-3-methylbutanoic acid?
The CAS number of 2-[Benzyl(methyl)amino]-3-methylbutanoic acid is 41935-57-3.
What is the molecular formula of 2-[Benzyl(methyl)amino]-3-methylbutanoic acid?
The molecular formula of 2-[Benzyl(methyl)amino]-3-methylbutanoic acid is C13H19NO2.
What is the molecular weight of 2-[Benzyl(methyl)amino]-3-methylbutanoic acid?
The molecular weight of 2-[Benzyl(methyl)amino]-3-methylbutanoic acid is 221.14 g/mol.
Where can I buy 2-[Benzyl(methyl)amino]-3-methylbutanoic acid?
You can request a quote for 2-[Benzyl(methyl)amino]-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-[Benzyl(methyl)amino]-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[Benzyl(methyl)amino]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.