TL;DR: 2-[(1-Adamantylcarbonyl)amino]-3-methylpentanoic acid (CAS 1008267-51-3) is a chemical compound with molecular formula C17H27NO3 and molecular weight 293.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(adamantane-1-carbonylamino)-3-methylpentanoic acid
Also Known As: 2-[(1-adamantylcarbonyl)amino]-3-methylpentanoic acid, 2-(ADAMANTAN-1-YLFORMAMIDO)-3-METHYLPENTANOIC ACID, 2-[(adamantan-1-yl)formamido]-3-methylpentanoic acid, 2-(adamantane-1-carbonylamino)-3-methylpentanoic acid, 2-[(1-adamantylcarbonyl)amino]-3-methylpentanoicacid
| Molecular Formula | C17H27NO3 |
| Molecular Weight | 293.1991 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.1991 Da |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
| SMILES | CCC(C)C(C(=O)O)NC(=O)C12CC3CC(C1)CC(C3)C2 |
| InChIKey | BXICSCMKJQFXMC-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Adamantylcarbonyl)amino]-3-methylpentanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1-Adamantylcarbonyl)amino]-3-methylpentanoic acid. Following Lipinski's Rule of Five, 2-[(1-Adamantylcarbonyl)amino]-3-methylpentanoic 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 2-[(1-Adamantylcarbonyl)amino]-3-methylpentanoic acid is 1008267-51-3.
The molecular formula of 2-[(1-Adamantylcarbonyl)amino]-3-methylpentanoic acid is C17H27NO3.
The molecular weight of 2-[(1-Adamantylcarbonyl)amino]-3-methylpentanoic acid is 293.1991 g/mol.
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