TL;DR: (S)-2-Acetamidohexanoic acid (CAS 15891-49-3) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-acetamidohexanoic acid
Also Known As: (S)-2-Acetamidohexanoic acid, Acetyl-L-norleucine, L-Norleucine, N-acetyl-, N-Acetyl-L-norleucine, (2S)-2-acetamidohexanoic acid
| Molecular Formula | C8H15NO3 |
| Molecular Weight | 173.1052 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.1052 Da |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| SMILES | CCCC[C@@H](C(=O)O)NC(=O)C |
| InChIKey | JDMCEGLQFSOMQH-ZETCQYMHSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-Acetamidohexanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-Acetamidohexanoic acid. Following Lipinski's Rule of Five, (S)-2-Acetamidohexanoic acid has 2 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 (S)-2-Acetamidohexanoic acid is 15891-49-3.
The molecular formula of (S)-2-Acetamidohexanoic acid is C8H15NO3.
The molecular weight of (S)-2-Acetamidohexanoic acid is 173.1052 g/mol.
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