N-((1,1-dimethylethoxy)carbonyl)-beta-alanine
TL;DR: N-((1,1-dimethylethoxy)carbonyl)-beta-alanine (CAS 3303-84-2) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-beta-alanine, Boc-beta-Ala-OH, Boc-, A-Ala-OH, N-Boc-beta-alanine
| Molecular Formula | C8H15NO4 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.10011 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 3303-84-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC(=O)O |
| InChIKey | WCFJUSRQHZPVKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-((1,1-dimethylethoxy)carbonyl)-beta-alanine (CAS 3303-84-2), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of N-((1,1-dimethylethoxy)carbonyl)-beta-alanine
Property Insights of N-((1,1-dimethylethoxy)carbonyl)-beta-alanine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((1,1-dimethylethoxy)carbonyl)-beta-alanine. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((1,1-dimethylethoxy)carbonyl)-beta-alanine. Following Lipinski's Rule of Five, N-((1,1-dimethylethoxy)carbonyl)-beta-alanine 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 N-((1,1-dimethylethoxy)carbonyl)-beta-alanine?
The CAS number of N-((1,1-dimethylethoxy)carbonyl)-beta-alanine is 3303-84-2.
What is the molecular formula of N-((1,1-dimethylethoxy)carbonyl)-beta-alanine?
The molecular formula of N-((1,1-dimethylethoxy)carbonyl)-beta-alanine is C8H15NO4.
What is the molecular weight of N-((1,1-dimethylethoxy)carbonyl)-beta-alanine?
The molecular weight of N-((1,1-dimethylethoxy)carbonyl)-beta-alanine is 189.10 g/mol.
Where can I buy N-((1,1-dimethylethoxy)carbonyl)-beta-alanine?
You can request a quote for N-((1,1-dimethylethoxy)carbonyl)-beta-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)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-((1,1-dimethylethoxy)carbonyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.