3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid
TL;DR: 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid (CAS 71420-95-6) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid
Also Known As: 3-[(Boc-amino)methyl]phenylacetic Acid, 2-(3-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid, Boc-3-aminomethyl-phenylacetic acid, (+/-)-Anabasine, BOC-(3-AMINOMETHYLPHENYL)ACETIC ACID
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 2.3384 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 462.7589 |
Chemical Identifiers
| CAS Number | 71420-95-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=CC=CC(=C1)CC(=O)O |
Product Overview
3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid (CAS 71420-95-6), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetic acid.
Chemical Property Profile of 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid
Property Insights of 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid
The XLogP value of 2.3384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid. Following Lipinski's Rule of Five, 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic 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 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid?
The CAS number of 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid is 71420-95-6.
What is the molecular formula of 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid?
The molecular formula of 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid is C14H19NO4.
What is the molecular weight of 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid?
The molecular weight of 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid is 265.13 g/mol.
Where can I buy 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid?
You can request a quote for 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((((1,1-Dimethylethoxy)carbonyl)amino)methyl)benzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.