2-methyl-3-pyrimidin-2-ylpropanoic acid

C8H10N2O2 — CID 42614418

IUPAC2-methyl-3-pyrimidin-2-ylpropanoic acid
SMILESCC(Cc1ncccn1)C(=O)O
InChIInChI=1S/C8H10N2O2/c1-6(8(11)12)5-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyMUBSMKHUHLQYNZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.74
Rot. Bonds3

About 2-methyl-3-pyrimidin-2-ylpropanoic acid

2-methyl-3-pyrimidin-2-ylpropanoic acid (PubChem CID 42614418) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-3-pyrimidin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-pyrimidin-2-ylpropanoic acid
PubChem CID42614418
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-methyl-3-pyrimidin-2-ylpropanoic acid
SMILESCC(Cc1ncccn1)C(=O)O
InChIInChI=1S/C8H10N2O2/c1-6(8(11)12)5-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyMUBSMKHUHLQYNZ-UHFFFAOYSA-N
XLogP0.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrimidin-2-ylpropanoic acid?
The IUPAC name of 2-methyl-3-pyrimidin-2-ylpropanoic acid (CID 42614418) is 2-methyl-3-pyrimidin-2-ylpropanoic acid.
What is the SMILES notation for 2-methyl-3-pyrimidin-2-ylpropanoic acid?
The canonical SMILES for 2-methyl-3-pyrimidin-2-ylpropanoic acid is CC(Cc1ncccn1)C(=O)O.
What is the InChIKey of 2-methyl-3-pyrimidin-2-ylpropanoic acid?
The InChIKey is MUBSMKHUHLQYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6(8(11)12)5-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of 2-methyl-3-pyrimidin-2-ylpropanoic acid?
2-methyl-3-pyrimidin-2-ylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrimidin-2-ylpropanoic acid is sourced from PubChem (CID 42614418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).