N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine
TL;DR: N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine (CAS 14550-79-9) 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.
3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid
Also Known As: Z-ALA-VAL-OH, benzyloxycarbonylalanylvaline, ((Benzyloxy)carbonyl)-L-alanyl-L-valine, N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine, 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-methyl-butanoic acid
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 14550-79-9 |
|---|---|
| SMILES | CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1 |
| InChIKey | MSDUZLXFEMEMNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine (CAS 14550-79-9), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoic acid.
Chemical Property Profile of N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine
Property Insights of N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine. Following Lipinski's Rule of Five, N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine 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)propanoyl)valine?
The CAS number of N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine is 14550-79-9.
What is the molecular formula of N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine?
The molecular formula of N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine is C16H22N2O5.
What is the molecular weight of N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine?
The molecular weight of N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine is 322.15 g/mol.
Where can I buy N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine?
You can request a quote for N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine 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)propanoyl)valine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(((Benzyloxy)carbonyl)amino)propanoyl)valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.