TL;DR: 2-Amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid (CAS 1214046-20-4) is a chemical compound with molecular formula C5H8F3NO3 and molecular weight 187.04562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
Also Known As: 2-amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid, 3-Hydroxy-4,4,4-trifluoro-DL-valine, 2-amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoicacid, 2-amino-4,4,4-trifluoro-3-hydroxy-3-methyl-butanoic Acid
| Molecular Formula | C5H8F3NO3 |
| Molecular Weight | 187.04562 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.04562 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | CC(C(C(=O)O)N)(C(F)(F)F)O |
| InChIKey | RSCUBJJIMXDWHW-UHFFFAOYSA-N |
The XLogP value of -2.7 indicates that 2-Amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-Amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid is 1214046-20-4.
The molecular formula of 2-Amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid is C5H8F3NO3.
The molecular weight of 2-Amino-4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid is 187.04562 g/mol.
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