TL;DR: (R)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(methylsulfonyl)butanoic acid (CAS 143978-86-3) is a chemical compound with molecular formula C11H21NO6S and molecular weight 295.10895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonylbutanoic acid
Also Known As: Boc-3-(methylsulfonyl)-L-valine, (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfonyl-butanoic Acid, (R)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(methylsulfonyl)butanoic acid
| Molecular Formula | C11H21NO6S |
| Molecular Weight | 295.10895 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.10895 Da |
| Heavy Atoms | 19 |
| Complexity | 455.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)S(=O)(=O)C |
| InChIKey | JTRDKNXNHKGMAP-SSDOTTSWSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(methylsulfonyl)butanoic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(methylsulfonyl)butanoic acid. Following Lipinski's Rule of Five, (R)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(methylsulfonyl)butanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (R)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(methylsulfonyl)butanoic acid is 143978-86-3.
The molecular formula of (R)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(methylsulfonyl)butanoic acid is C11H21NO6S.
The molecular weight of (R)-2-((tert-Butoxycarbonyl)amino)-3-methyl-3-(methylsulfonyl)butanoic acid is 295.10895 g/mol.
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