2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid
TL;DR: 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid (CAS 86937-80-6) is a chemical compound with molecular formula C14H18N2O6 and molecular weight 310.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid
Also Known As: Boc-4-nitro-L-phenylalanine, Boc-D-4-Nitrophe, Boc-L-4-Nitrophe, phenylacetaldehyde, Boc-DL-Phe(4-NO2)-OH
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18N2O6 |
| Molecular Weight | 310.1165 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.1165 Da |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | XBQADBXCNQPHHY-UHFFFAOYSA-N |
Chemical Property Profile of 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid
Property Insights of 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid. Following Lipinski's Rule of Five, 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
The CAS number of 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid is 86937-80-6.
What is the molecular formula of 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
The molecular formula of 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid is C14H18N2O6.
What is the molecular weight of 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
The molecular weight of 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid is 310.1165 g/mol.
Where can I buy 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
You can request a quote for 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid?
Yes, CoreyChem provides custom synthesis services for 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.