TL;DR: 4-[(3-Methylpyridin-2-yl)amino]-4-oxobutanoic acid (CAS 119580-41-5) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
Also Known As: 4-[(3-methylpyridin-2-yl)amino]-4-oxobutanoic acid, BAS 01375430, (s)-2-(trifluoromethyl)pyrrolidine, 4-((3-Methylpyridin-2-yl)amino)-4-oxobutanoic acid, N-(3-Methyl-pyridin-2-yl)-succinamic acid
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.0848 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0848 Da |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
| SMILES | CC1=C(N=CC=C1)NC(=O)CCC(=O)O |
| InChIKey | GVZPPQAPLNIQBF-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Methylpyridin-2-yl)amino]-4-oxobutanoic acid. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Methylpyridin-2-yl)amino]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[(3-Methylpyridin-2-yl)amino]-4-oxobutanoic 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 4-[(3-Methylpyridin-2-yl)amino]-4-oxobutanoic acid is 119580-41-5.
The molecular formula of 4-[(3-Methylpyridin-2-yl)amino]-4-oxobutanoic acid is C10H12N2O3.
The molecular weight of 4-[(3-Methylpyridin-2-yl)amino]-4-oxobutanoic acid is 208.0848 g/mol.
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