(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid
TL;DR: (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid (CAS 116366-31-5) is a chemical compound with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid
Also Known As: Boc-2-nitro-L-phenylalanine, Boc-L-2-Nitrophenylalanine, Boc-L-2-Nitrophe, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid, Boc-D-2-nitrophenylalanine
| Molecular Formula | C14H18N2O6 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 2.1152 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.1165 |
| Heavy Atoms | 22 |
| Complexity | 578.941 |
Chemical Identifiers
| CAS Number | 116366-31-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1[N+](=O)[O-])C(=O)O |
Product Overview
(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid (CAS 116366-31-5), with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol. IUPAC: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid.
Chemical Property Profile of (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid
Property Insights of (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid
The XLogP value of 2.1152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid. Following Lipinski's Rule of Five, (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid has 2 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 (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid?
The CAS number of (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid is 116366-31-5.
What is the molecular formula of (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid?
The molecular formula of (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid is C14H18N2O6.
What is the molecular weight of (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid?
The molecular weight of (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid is 310.12 g/mol.
Where can I buy (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid?
You can request a quote for (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.