TL;DR: 2-Amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid (CAS 165961-27-3) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.05931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
Also Known As: 2-amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid, 2-amino-3-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H9N3O4 |
| Molecular Weight | 199.05931 g/mol |
| XLogP | -4.3 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.05931 Da |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
| SMILES | C1=C(NC(=O)NC1=O)CC(C(=O)O)N |
| InChIKey | GDRSOHBLEJXJIV-UHFFFAOYSA-N |
The XLogP value of -4.3 indicates that 2-Amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid. Following Lipinski's Rule of Five, 2-Amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid has 4 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 2-Amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid is 165961-27-3.
The molecular formula of 2-Amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid is C7H9N3O4.
The molecular weight of 2-Amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid is 199.05931 g/mol.
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