TL;DR: [(2R)-3-(3-carboxypropoxycarbonyl)-2-(3-methylbutanoyloxy)propyl]-trimethyl-azanium (CAS 154550-71-7) is a chemical compound with molecular formula C16H30NO6+ and molecular weight 332.2073 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-4-(3-carboxypropoxy)-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium
Also Known As: [(2R)-3-(3-carboxypropoxycarbonyl)-2-(3-methylbutanoyloxy)propyl]-trimethyl-azanium|1-Butanaminium, 4-(3-carboxypropoxy)-N,N,N-trimethyl-2-(3-methyl-1-oxobutoxy)-4-oxo-, (R)-
| Molecular Formula | C16H30NO6+ |
| Molecular Weight | 332.2073 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 332.2073 Da |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
| SMILES | CC(C)CC(=O)O[C@H](CC(=O)OCCCC(=O)O)C[N+](C)(C)C |
| InChIKey | ZUIARERMLQGAOA-CYBMUJFWSA-O |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2R)-3-(3-carboxypropoxycarbonyl)-2-(3-methylbutanoyloxy)propyl]-trimethyl-azanium. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2R)-3-(3-carboxypropoxycarbonyl)-2-(3-methylbutanoyloxy)propyl]-trimethyl-azanium. Following Lipinski's Rule of Five, [(2R)-3-(3-carboxypropoxycarbonyl)-2-(3-methylbutanoyloxy)propyl]-trimethyl-azanium has 1 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 [(2R)-3-(3-carboxypropoxycarbonyl)-2-(3-methylbutanoyloxy)propyl]-trimethyl-azanium is 154550-71-7.
The molecular formula of [(2R)-3-(3-carboxypropoxycarbonyl)-2-(3-methylbutanoyloxy)propyl]-trimethyl-azanium is C16H30NO6+.
The molecular weight of [(2R)-3-(3-carboxypropoxycarbonyl)-2-(3-methylbutanoyloxy)propyl]-trimethyl-azanium is 332.2073 g/mol.
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