TL;DR: methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate (CAS 1173683-01-6) is a chemical compound with molecular formula C13H15N3O4 and molecular weight 277.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]propanoate
Also Known As: methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate, methyl (2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]propanoate, (S)-methyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)propanoate, METHYL (2S)-2-({[3-OXO-3,4-DIHYDRO-1(2H)-QUINOXALINYL]CARBONYL}AMINO)PROPANOATE
| Molecular Formula | C13H15N3O4 |
| Molecular Weight | 277.10626 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.10626 Da |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
| SMILES | C[C@@H](C(=O)OC)NC(=O)N1CC(=O)NC2=CC=CC=C21 |
| InChIKey | NBWIJMORKJPPME-QMMMGPOBSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate. Following Lipinski's Rule of Five, methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate 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 methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate is 1173683-01-6.
The molecular formula of methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate is C13H15N3O4.
The molecular weight of methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-alaninate is 277.10626 g/mol.
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