3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid

C14H14N2O3 — CID 121398970

IUPAC3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid
SMILESCOCC(C(=O)O)(c1ccccc1)c1ncccn1
InChIInChI=1S/C14H14N2O3/c1-19-10-14(13(17)18,11-6-3-2-4-7-11)12-15-8-5-9-16-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyAZKJNHJXXJLXNN-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.49
Rot. Bonds5

About 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid

3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid (PubChem CID 121398970) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid
PubChem CID121398970
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid
SMILESCOCC(C(=O)O)(c1ccccc1)c1ncccn1
InChIInChI=1S/C14H14N2O3/c1-19-10-14(13(17)18,11-6-3-2-4-7-11)12-15-8-5-9-16-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyAZKJNHJXXJLXNN-UHFFFAOYSA-N
XLogP1.49
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(methoxymethyl)-2-methyl-3-trityloxypropanoate
CID 124849278
hexyl 3-methoxy-2,2-diphenylpropanoate
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2,2-diphenyl-3-phosphanylpropanoic acid
CID 21269236
3-ethoxy-2-methoxy-3-oxo-2-pyrimidin-2-ylpropanoic acid
CID 54448863
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
3-hydroxy-4-methoxy-2-methyl-3-phenylbutanoic acid
CID 103465941
2-(methoxymethyl)-3-methyl-2-phenylbutanoyl chloride
CID 87162719
(2S)-2-phenyl-2-trimethylsilyl-2-trimethylsilyloxyacetic acid
CID 54395913
3-methoxy-2-methyl-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 120613692
3-methoxy-2-(4-methylanilino)-2-phenylpropanoic acid
CID 103464838
2-methoxy-1-phenyl-1-quinolin-7-ylethanol
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2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid?
The IUPAC name of 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid (CID 121398970) is 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid.
What is the SMILES notation for 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid?
The canonical SMILES for 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid is COCC(C(=O)O)(c1ccccc1)c1ncccn1.
What is the InChIKey of 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid?
The InChIKey is AZKJNHJXXJLXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-10-14(13(17)18,11-6-3-2-4-7-11)12-15-8-5-9-16-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid?
3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenyl-2-pyrimidin-2-ylpropanoic acid is sourced from PubChem (CID 121398970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).