TL;DR: 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic Acid (CAS 1173681-71-4) is a chemical compound with molecular formula C15H19N3O4 and molecular weight 305.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic acid
Also Known As: 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic Acid, (S)-3-(2-Isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoic acid, 3-{[(2S)-3-Oxo-2-(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline-1-carbonyl]amino}propanoic acid, 3-({[(2S)-2-ISOPROPYL-3-OXO-3,4-DIHYDRO-1(2H)-QUINOXALINYL]CARBONYL}AMINO)PROPANOIC ACID
| Molecular Formula | C15H19N3O4 |
| Molecular Weight | 305.13754 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.13754 Da |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
| SMILES | CC(C)[C@H]1C(=O)NC2=CC=CC=C2N1C(=O)NCCC(=O)O |
| InChIKey | VGXUSOFJIGWBMO-ZDUSSCGKSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic Acid. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic Acid. Following Lipinski's Rule of Five, 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic Acid has 3 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-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic Acid is 1173681-71-4.
The molecular formula of 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic Acid is C15H19N3O4.
The molecular weight of 3-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]propanoic Acid is 305.13754 g/mol.
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