TL;DR: 4-Methyl-2-[4-methyl-2-(3-oxobutanoylamino)pentanoylamino]pentanoic acid (CAS 1396967-96-6) is a chemical compound with molecular formula C16H28N2O5 and molecular weight 328.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-[[4-methyl-2-(3-oxobutanoylamino)pentanoyl]amino]pentanoic acid
Also Known As: 4-methyl-2-[[4-methyl-2-(3-oxobutanoylamino)pentanoyl]amino]pentanoic Acid, 4-methyl-2-[4-methyl-2-(3-oxobutanoylamino)pentanoylamino]pentanoic acid
| Molecular Formula | C16H28N2O5 |
| Molecular Weight | 328.19983 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 328.19983 Da |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
| SMILES | CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)CC(=O)C |
| InChIKey | TYISSGFGUZUDKJ-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-[4-methyl-2-(3-oxobutanoylamino)pentanoylamino]pentanoic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-[4-methyl-2-(3-oxobutanoylamino)pentanoylamino]pentanoic acid. Following Lipinski's Rule of Five, 4-Methyl-2-[4-methyl-2-(3-oxobutanoylamino)pentanoylamino]pentanoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Methyl-2-[4-methyl-2-(3-oxobutanoylamino)pentanoylamino]pentanoic acid is 1396967-96-6.
The molecular formula of 4-Methyl-2-[4-methyl-2-(3-oxobutanoylamino)pentanoylamino]pentanoic acid is C16H28N2O5.
The molecular weight of 4-Methyl-2-[4-methyl-2-(3-oxobutanoylamino)pentanoylamino]pentanoic acid is 328.19983 g/mol.
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