2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid

C11H15N3O5S — CID 66172177

About 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 66172177) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
• PubChem CID: 66172177
• Molecular Formula: C11H15N3O5S
• Molecular Weight: 301.32 g/mol
• Exact Mass: 301.07
• IUPAC Name: 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
• SMILES: CSc1nc(=O)[nH]c(C)c1C(=O)NCC(C)(O)C(=O)O
• InChI: InChI=1S/C11H15N3O5S/c1-5-6(8(20-3)14-10(18)13-5)7(15)12-4-11(2,19)9(16)17/h19H,4H2,1-3H3,(H,12,15)(H,16,17)(H,13,14,18)
• InChIKey: UDUVDNWHHZOLMH-UHFFFAOYSA-N
• XLogP: -0.63
• TPSA: 132.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.32
LogP ≤ 5	-0.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?

The IUPAC name of 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid (CID 66172177) is 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid.

What is the SMILES notation for 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?

The canonical SMILES for 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid is CSc1nc(=O)[nH]c(C)c1C(=O)NCC(C)(O)C(=O)O.

What is the InChIKey of 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?

The InChIKey is UDUVDNWHHZOLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-5-6(8(20-3)14-10(18)13-5)7(15)12-4-11(2,19)9(16)17/h19H,4H2,1-3H3,(H,12,15)(H,16,17)(H,13,14,18).

What are the key properties of 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid?

2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 301.32 g/mol, XLogP of -0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66172177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).