N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine
TL;DR: N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine (CAS 79775-03-4) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Also Known As: NCI60_024369, J2.977.558C, N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine, 2-(2-{[(benzyloxy)carbonyl]amino}-2-methylpropanamido)-2-methylpropanoic acid, A1-04806
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 79775-03-4 |
|---|---|
| SMILES | CC(C)(C(=O)NC(C)(C)C(=O)O)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | BJMRSYFLRSLBEH-UHFFFAOYSA-N |
Product Overview
N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine (CAS 79775-03-4), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid.
Chemical Property Profile of N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine
Property Insights of N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine. Following Lipinski's Rule of Five, N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine has 3 hydrogen bond donor(s) and 5 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 N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine?
The CAS number of N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine is 79775-03-4.
What is the molecular formula of N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine?
The molecular formula of N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine is C16H22N2O5.
What is the molecular weight of N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine?
The molecular weight of N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine is 322.15 g/mol.
Where can I buy N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine?
You can request a quote for N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)-2-methylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.