amino}-3-methylbutanoic acid structure](/static/products/4241/42417-65-2.webp)
2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid
TL;DR: 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid (CAS 42417-65-2) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
Also Known As: Cbz-N-methyl-DL-valine, z-d-n-me-val-oh, Cbz-N-methyl-L-valine, Z-N-Me-Val-OH, Z-N-methyl-L-valine
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 2.3642 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 430.3319 |
Chemical Identifiers
| CAS Number | 42417-65-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N(C)C(=O)OCC1=CC=CC=C1 |
Product Overview
2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid (CAS 42417-65-2), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid.
Chemical Property Profile of 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid
Property Insights of 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid
The XLogP value of 2.3642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-{[(Benzyloxy)carbonyl](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-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid?
The CAS number of 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid is 42417-65-2.
What is the molecular formula of 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid?
The molecular formula of 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid is C14H19NO4.
What is the molecular weight of 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid?
The molecular weight of 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid is 265.13 g/mol.
Where can I buy 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid?
You can request a quote for 2-{[(Benzyloxy)carbonyl](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-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(Benzyloxy)carbonyl](methyl)amino}-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.