TL;DR: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine (CAS 1173662-51-5) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]propanoic acid
Also Known As: N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine, (2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]propanoic acid, (2S)-2-[(3-oxo2,4-dihydroquinoxaline-1-carbonyl)amino]propanoic Acid, (S)-2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoic acid
| Molecular Formula | C12H13N3O4 |
| Molecular Weight | 263.0906 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0906 Da |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)N1CC(=O)NC2=CC=CC=C21 |
| InChIKey | BUVMJTXXSSSSHY-ZETCQYMHSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine. Following Lipinski's Rule of Five, N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine 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 N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine is 1173662-51-5.
The molecular formula of N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine is C12H13N3O4.
The molecular weight of N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alanine is 263.0906 g/mol.
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