1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline
TL;DR: 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline (CAS 67396-12-7) is a chemical compound with molecular formula C18H31N3O6 and molecular weight 385.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Also Known As: N-(tert-Butoxycarbonyl)-L-valyl-L-alanyl-L-proline, 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline, L-Proline, 1-[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-valyl]-L-alanyl]-, (2S)-1-[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, (2S)-1-[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C18H31N3O6 |
|---|---|
| Molecular Weight | 385.22 g/mol |
| LogP | 1.116 |
| Topological Polar Surface Area | 125.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.22128 |
| Heavy Atoms | 27 |
| Complexity | 584.1362 |
Chemical Identifiers
| CAS Number | 67396-12-7 |
|---|---|
| SMILES | C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C |
Product Overview
1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline (CAS 67396-12-7), with molecular formula C18H31N3O6 and molecular weight 385.22 g/mol. IUPAC: (2S)-1-[(2S)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline
Property Insights of 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline
The XLogP value of 1.116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline. The TPSA of 125.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline. Following Lipinski's Rule of Five, 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline has 3 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 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline?
The CAS number of 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline is 67396-12-7.
What is the molecular formula of 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline?
The molecular formula of 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline is C18H31N3O6.
What is the molecular weight of 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline?
The molecular weight of 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline is 385.22 g/mol.
Where can I buy 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline?
You can request a quote for 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((2-((tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.