TL;DR: (2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic Acid (CAS 1173666-53-9) is a chemical compound with molecular formula C17H23N3O4 and molecular weight 333.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic acid
Also Known As: (2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic Acid, (S)-2-((S)-2-isopropyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)-3-methylbutanoic acid
| Molecular Formula | C17H23N3O4 |
| Molecular Weight | 333.16885 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.16885 Da |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
| SMILES | CC(C)[C@H]1C(=O)NC2=CC=CC=C2N1C(=O)N[C@@H](C(C)C)C(=O)O |
| InChIKey | HXGNFMSOKZGUEP-KBPBESRZSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic Acid. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic Acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic 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 (2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic Acid is 1173666-53-9.
The molecular formula of (2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic Acid is C17H23N3O4.
The molecular weight of (2S)-3-methyl-2-[[(2S)-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carbonyl]amino]butanoic Acid is 333.16885 g/mol.
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