(S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid
TL;DR: (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid (CAS 139938-00-4) is a chemical compound with molecular formula C11H21NO4 and molecular weight 231.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Also Known As: (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid, Boc-D-, A-Me-Val-OH, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-2,3-DIMETHYLBUTANOIC ACID, Valine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-
Technical Specifications
| Molecular Formula | C11H21NO4 |
| Molecular Weight | 231.14706 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.14706 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | CC(C)[C@@](C)(C(=O)O)NC(=O)OC(C)(C)C |
| InChIKey | MXPBQQXWXZWBMK-NSHDSACASA-N |
Chemical Property Profile of (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid
Property Insights of (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid. Following Lipinski's Rule of Five, (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid 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
What is the CAS number of (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid?
The CAS number of (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid is 139938-00-4.
What is the molecular formula of (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid?
The molecular formula of (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid is C11H21NO4.
What is the molecular weight of (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid?
The molecular weight of (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid is 231.14706 g/mol.
Where can I buy (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid?
You can request a quote for (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for (S)-2-((tert-Butoxycarbonyl)amino)-2,3-dimethylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.