2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid
TL;DR: 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid (CAS 331739-47-0) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid
Also Known As: Boc-DL-Phg-OH, Boc-Phg-OH, Boc-D-Phg-OH, Boc-phenylglycine, N-Boc-DL-phenylglycine
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 331739-47-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)O |
| InChIKey | HOBFSNNENNQQIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid (CAS 331739-47-0), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid.
Chemical Property Profile of 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid
Property Insights of 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid has 2 hydrogen bond donor(s) and 4 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-butoxy)carbonyl)amino)-2-phenylacetic acid?
The CAS number of 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid is 331739-47-0.
What is the molecular formula of 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid?
The molecular formula of 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid is C13H17NO4.
What is the molecular weight of 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid?
The molecular weight of 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid is 251.12 g/mol.
Where can I buy 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid?
You can request a quote for 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic 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-butoxy)carbonyl)amino)-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((Tert-butoxy)carbonyl)amino)-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.