TL;DR: (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid (CAS 1212660-01-9) is a chemical compound with molecular formula C19H23N3O5 and molecular weight 373.16376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid
Also Known As: (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid, (2S)-2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic acid, 2-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]amino]propanoic Acid, N-({4-[(2-hydroxy-4-oxoquinazolin-3(4H)-yl)methyl]cyclohexyl}carbonyl)-L-alanine, N-({trans-4-[(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexyl}carbonyl)-L-alanine
| Molecular Formula | C19H23N3O5 |
| Molecular Weight | 373.16376 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.16376 Da |
| Heavy Atoms | 27 |
| Complexity | 614.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=O |
| InChIKey | APPXEXAKZPGVKC-HIFPTAJRSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid. Following Lipinski's Rule of Five, (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic 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 (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid is 1212660-01-9.
The molecular formula of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid is C19H23N3O5.
The molecular weight of (S)-2-(4-((2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamido)propanoic acid is 373.16376 g/mol.
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