2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid
TL;DR: 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid (CAS 53940-88-8) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-2-methyl-D-phenylalanine, Boc-D-Phe(2-Me)-OH, BOC-L-2-Methylphe, Boc-Phe(2-Me)-OH, Boc-2-methyl-L-phenylalanine
| Molecular Formula | C15H21NO4 |
|---|---|
| Molecular Weight | 279.15 g/mol |
| LogP | 2.51542 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.14706 |
| Heavy Atoms | 20 |
| Complexity | 490.89203 |
Chemical Identifiers
| CAS Number | 53940-88-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CC(C(=O)O)NC(=O)OC(C)(C)C |
Product Overview
2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid (CAS 53940-88-8), with molecular formula C15H21NO4 and molecular weight 279.15 g/mol. IUPAC: 3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid
Property Insights of 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid
The XLogP value of 2.51542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid. Following Lipinski's Rule of Five, 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic 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-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid?
The CAS number of 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid is 53940-88-8.
What is the molecular formula of 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid?
The molecular formula of 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid is C15H21NO4.
What is the molecular weight of 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid?
The molecular weight of 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid is 279.15 g/mol.
Where can I buy 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid?
You can request a quote for 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.