Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate
TL;DR: Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate (CAS 77087-60-6) 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.
methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: (S)-Methyl 2-amino-3-((tert-butoxycarbonyl)amino)propanoate, H-Dap(Boc)-OMe, H-L-Dap(Boc)-Ome, H-L-Dap(Boc)-OMe;, 3-[[(1,1-Dimethylethoxy)carbonyl]amino]-L-alanine methyl ester
| Molecular Formula | C9H18N2O4 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 0.0114 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.12666 |
| Heavy Atoms | 15 |
| Complexity | 234.75706 |
Chemical Identifiers
| CAS Number | 77087-60-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC[C@@H](C(=O)OC)N |
Product Overview
Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate (CAS 77087-60-6), with molecular formula C9H18N2O4 and molecular weight 218.13 g/mol. IUPAC: methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate
Property Insights of Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate
The XLogP value of 0.0114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate. Following Lipinski's Rule of Five, Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate has 2 hydrogen bond donor(s) and 5 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 Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate?
The CAS number of Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate is 77087-60-6.
What is the molecular formula of Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate?
The molecular formula of Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate is C9H18N2O4.
What is the molecular weight of Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate?
The molecular weight of Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate is 218.13 g/mol.
Where can I buy Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate?
You can request a quote for Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-((tert-butoxycarbonyl)amino)-L-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.