(2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid
TL;DR: (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid (CAS 80445-78-9) is a chemical compound with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: Boc-L-2,4-diaminobutyric acid, Boc-Dab-OH, N-Boc-4-amino-L-homoalanine, BOC-L-DAB-OH, (S)-4-Amino-2-((tert-butoxycarbonyl)amino)butanoic acid
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 0.3131 |
| Topological Polar Surface Area | 101.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 234.75706 |
Chemical Identifiers
| CAS Number | 80445-78-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCN)C(=O)O |
Product Overview
(2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid (CAS 80445-78-9), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
Chemical Property Profile of (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid
Property Insights of (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid
The XLogP value of 0.3131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid. The TPSA of 101.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid. Following Lipinski's Rule of Five, (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid has 3 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 (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid?
The CAS number of (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid is 80445-78-9.
What is the molecular formula of (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid?
The molecular formula of (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid is C9H18N2O4.
What is the molecular weight of (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid?
The molecular weight of (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid is 218.13 g/mol.
Where can I buy (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid?
You can request a quote for (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-amino-2-(((tert-butoxy)carbonyl)amino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.