TL;DR: Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate (CAS 1396979-94-4) is a chemical compound with molecular formula C16H24N2O3 and molecular weight 292.17868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
Also Known As: BAS 01370743, Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate, Methyl2-(2-amino-3-phenylpropanamido)-4-methylpentanoate, 2-(2-Amino-3-phenyl-propionylamino)-4-methyl-pentanoic acid methyl ester, methyl 2-(2-amino-3-phenylpropanoylamino)-4-methylpentanoate
| Molecular Formula | C16H24N2O3 |
| Molecular Weight | 292.17868 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 292.17868 Da |
| Heavy Atoms | 21 |
| Complexity | 338.0 |
| SMILES | CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N |
| InChIKey | HGVNLOSOAISYIT-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate. Following Lipinski's Rule of Five, Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate is 1396979-94-4.
The molecular formula of Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate is C16H24N2O3.
The molecular weight of Methyl 2-(2-amino-3-phenylpropanamido)-4-methylpentanoate is 292.17868 g/mol.
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