TL;DR: 4-(Naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid (CAS 1026767-32-7) is a chemical compound with molecular formula C20H19N3O3 and molecular weight 349.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Also Known As: F2721-0616, 4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid, 3-[(naphthalen-2-yl)carbamoyl]-2-{[(pyridin-3-yl)methyl]amino}propanoic acid, 4-(naphthalen-2-ylamino)-4-oxo-2-((pyridin-3-ylmethyl)amino)butanoic acid, 3-(N-2-naphthylcarbamoyl)-2-{[(3-pyridyl)methyl]amino}propionic acid
| Molecular Formula | C20H19N3O3 |
| Molecular Weight | 349.14264 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 91.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.14264 Da |
| Heavy Atoms | 26 |
| Complexity | 485.0 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)NC(=O)CC(C(=O)O)NCC3=CN=CC=C3 |
| InChIKey | HWZYREONJXVZEN-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-(Naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(Naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 1026767-32-7.
The molecular formula of 4-(Naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is C20H19N3O3.
The molecular weight of 4-(Naphthalen-2-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 349.14264 g/mol.
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