2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid

C9H12N2O4 — CID 127018733

IUPAC2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid
SMILESCc1ccn(CC(C)(O)C(=O)O)c(=O)n1
InChIInChI=1S/C9H12N2O4/c1-6-3-4-11(8(14)10-6)5-9(2,15)7(12)13/h3-4,15H,5H2,1-2H3,(H,12,13)
InChIKeyBKOVRLLCYXYCRM-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.61
Rot. Bonds3

About 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid

2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 127018733) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid
PubChem CID127018733
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid
SMILESCc1ccn(CC(C)(O)C(=O)O)c(=O)n1
InChIInChI=1S/C9H12N2O4/c1-6-3-4-11(8(14)10-6)5-9(2,15)7(12)13/h3-4,15H,5H2,1-2H3,(H,12,13)
InChIKeyBKOVRLLCYXYCRM-UHFFFAOYSA-N
XLogP-0.61
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid (CID 127018733) is 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid is Cc1ccn(CC(C)(O)C(=O)O)c(=O)n1.
What is the InChIKey of 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is BKOVRLLCYXYCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6-3-4-11(8(14)10-6)5-9(2,15)7(12)13/h3-4,15H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid?
2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 212.21 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 127018733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).