TL;DR: 3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic Acid (CAS 1008202-20-7) is a chemical compound with molecular formula C11H22N2O3 and molecular weight 230.16304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic acid
Also Known As: N-[(2-methylpropyl)carbamoyl]isoleucine, 3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic Acid, 2-(3-Isobutylureido)-3-methylpentanoic acid, 2-(isobutylcarbamoylamino)-3-methyl-pentanoic acid, 3-METHYL-2-{[(2-METHYLPROPYL)CARBAMOYL]AMINO}PENTANOIC ACID
| Molecular Formula | C11H22N2O3 |
| Molecular Weight | 230.16304 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 230.16304 Da |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
| SMILES | CCC(C)C(C(=O)O)NC(=O)NCC(C)C |
| InChIKey | TYDFZSIYTRNVEN-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic Acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic Acid. Following Lipinski's Rule of Five, 3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic 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 3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic Acid is 1008202-20-7.
The molecular formula of 3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic Acid is C11H22N2O3.
The molecular weight of 3-methyl-2-(2-methylpropylcarbamoylamino)pentanoic Acid is 230.16304 g/mol.
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