TL;DR: 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid (CAS 111688-37-0) is a chemical compound with molecular formula C4H6F3NO3 and molecular weight 173.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4,4,4-trifluoro-3-hydroxybutanoic acid
Also Known As: 2-amino-4,4,4-trifluoro-3-hydroxybutanoic acid, Trifluorothreonine, 4,4,4-Trifluorothreonine #, anti-4,4,4-trifluorothreonine, Threonine, 4,4,4-trifluoro-
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H6F3NO3 |
| Molecular Weight | 173.02998 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.02998 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| SMILES | C(C(C(F)(F)F)O)(C(=O)O)N |
| InChIKey | ITYVCUQVLKIGEY-UHFFFAOYSA-N |
The XLogP value of -2.2 indicates that 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic 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-hydroxybutanoic acid. Following Lipinski's Rule of Five, 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic 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-hydroxybutanoic acid is 111688-37-0.
The molecular formula of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid is C4H6F3NO3.
The molecular weight of 2-Amino-4,4,4-trifluoro-3-hydroxybutanoic acid is 173.02998 g/mol.
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