N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine
TL;DR: N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine (CAS 52162-92-2) is a chemical compound with molecular formula C9H17NO4 and molecular weight 203.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-Aib-OH, Boc-alpha-methylalanine, Boc-2-Aminoisobutyric acid, 2-(Boc-amino)isobutyric Acid, boc-a-methylalanine
| Molecular Formula | C9H17NO4 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 1.3743 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.11575 |
| Heavy Atoms | 14 |
| Complexity | 239.68674 |
Chemical Identifiers
| CAS Number | 52162-92-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(C)(C)C(=O)O |
Product Overview
N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine (CAS 52162-92-2), with molecular formula C9H17NO4 and molecular weight 203.12 g/mol. IUPAC: 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine
Property Insights of N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine
The XLogP value of 1.3743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine. Following Lipinski's Rule of Five, N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine 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 N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine?
The CAS number of N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine is 52162-92-2.
What is the molecular formula of N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine?
The molecular formula of N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine is C9H17NO4.
What is the molecular weight of N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine?
The molecular weight of N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine is 203.12 g/mol.
Where can I buy N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine?
You can request a quote for N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.