TL;DR: (1-Amino-2-methylpropyl)boronic acid (CAS 161928-42-3) is a chemical compound with molecular formula C4H12BNO2 and molecular weight 117.09611 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-amino-2-methylpropyl)boronic acid
Also Known As: H-borovaline, (1-amino-2-methylpropyl)boronic acid, 1-amino-2-methylpropylboronic acid, (1-amino-2-methyl-propyl)boronic acid, Boronic acid, (1-amino-2-methylpropyl)-
| Molecular Formula | C4H12BNO2 |
| Molecular Weight | 117.09611 g/mol |
| XLogP | -1.0183 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.09611 Da |
| Heavy Atoms | 8 |
| Complexity | 67.0 |
| SMILES | B(C(C(C)C)N)(O)O |
| InChIKey | AIUDHUUVWREDAS-UHFFFAOYSA-N |
The XLogP value of -1.0183 indicates that (1-Amino-2-methylpropyl)boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Amino-2-methylpropyl)boronic acid. Following Lipinski's Rule of Five, (1-Amino-2-methylpropyl)boronic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1-Amino-2-methylpropyl)boronic acid is 161928-42-3.
The molecular formula of (1-Amino-2-methylpropyl)boronic acid is C4H12BNO2.
The molecular weight of (1-Amino-2-methylpropyl)boronic acid is 117.09611 g/mol.
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