TL;DR: (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid (CAS 1173688-97-5) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid
Also Known As: (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid, (2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenylpropanoyl]amino]propanoic acid, 2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)-3-phenyl-propanoyl]amino]propanoic Acid
| Molecular Formula | C20H19N3O5 |
| Molecular Weight | 381.13248 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.13248 Da |
| Heavy Atoms | 28 |
| Complexity | 631.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3NC2=O |
| InChIKey | WJPNVQICIMFNCZ-BLLLJJGKSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid. Following Lipinski's Rule of Five, (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)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-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid is 1173688-97-5.
The molecular formula of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid is C20H19N3O5.
The molecular weight of (S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)propanoic acid is 381.13248 g/mol.
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