TL;DR: 3-Methyl-2-(pyridin-2-ylformamido)butanoic acid (CAS 1160854-50-1) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-2-(pyridine-2-carbonylamino)butanoic acid
Also Known As: 3-methyl-2-(pyridin-2-ylformamido)butanoic acid, 3-methyl-2-(pyridine-2-carbonylamino)butanoic Acid, 3-methyl-2-[(pyridin-2-yl)formamido]butanoic acid, J2.739.538D, 3-methyl-2-(pyridin-2-ylformamido)butanoicacid
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.10045 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10045 Da |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
| SMILES | CC(C)C(C(=O)O)NC(=O)C1=CC=CC=N1 |
| InChIKey | TZRRISNEOUTNSA-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(pyridin-2-ylformamido)butanoic acid. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-2-(pyridin-2-ylformamido)butanoic acid. Following Lipinski's Rule of Five, 3-Methyl-2-(pyridin-2-ylformamido)butanoic acid 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 3-Methyl-2-(pyridin-2-ylformamido)butanoic acid is 1160854-50-1.
The molecular formula of 3-Methyl-2-(pyridin-2-ylformamido)butanoic acid is C11H14N2O3.
The molecular weight of 3-Methyl-2-(pyridin-2-ylformamido)butanoic acid is 222.10045 g/mol.
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