TL;DR: 2-(Furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid (CAS 1026766-57-3) is a chemical compound with molecular formula C14H15N3O4 and molecular weight 289.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
Also Known As: 2-(furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid, VU0512768-1, 2-{[(furan-2-yl)methyl]amino}-3-[(pyridin-3-yl)carbamoyl]propanoic acid, F3177-0040, 2-(2-furylmethylamino)-3-(pyridin-3-ylcarbamoyl)propanoic Acid
| Molecular Formula | C14H15N3O4 |
| Molecular Weight | 289.10626 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.10626 Da |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
| SMILES | C1=CC(=CN=C1)NC(=O)CC(C(=O)O)NCC2=CC=CO2 |
| InChIKey | YBIUCNPOUVLVPG-UHFFFAOYSA-N |
The XLogP value of -2.0 indicates that 2-(Furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid. Following Lipinski's Rule of Five, 2-(Furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid is 1026766-57-3.
The molecular formula of 2-(Furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid is C14H15N3O4.
The molecular weight of 2-(Furan-2-ylmethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid is 289.10626 g/mol.
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