2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid

C15H15NO2 — CID 115008847

IUPAC2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid
SMILESCC(C)(C(=O)O)c1ccncc1-c1ccccc1
InChIInChI=1S/C15H15NO2/c1-15(2,14(17)18)13-8-9-16-10-12(13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)
InChIKeyJXIXAMRMGGYNHU-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid

2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid (PubChem CID 115008847) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid
PubChem CID115008847
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid
SMILESCC(C)(C(=O)O)c1ccncc1-c1ccccc1
InChIInChI=1S/C15H15NO2/c1-15(2,14(17)18)13-8-9-16-10-12(13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)
InChIKeyJXIXAMRMGGYNHU-UHFFFAOYSA-N
XLogP3.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008846
2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid
CID 115008844
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
2-[2-(3-methoxyphenyl)phenyl]-2-methylpropanoic acid
CID 39232932
tert-butyl 3-(3-phenyl-4-pyridinyl)benzoate
CID 174627980
2-methyl-2-(3-phenyl-1-benzofuran-7-yl)propanoic acid
CID 21319886
2,4-dimethyl-2-(2-phenylphenyl)pentan-3-one
CID 91096503
2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
CID 68530289
1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
CID 102708685
2-methyl-2-(3-pyridin-4-ylphenoxy)propanoic acid
CID 117051555
1-[(4-phenyl-3-pyridinyl)oxy]propan-2-one
CID 54194916
1,2-ditert-butylbenzene;3,4-ditert-butylpyridine
CID 158272482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid (CID 115008847) is 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid is CC(C)(C(=O)O)c1ccncc1-c1ccccc1.
What is the InChIKey of 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid?
The InChIKey is JXIXAMRMGGYNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(2,14(17)18)13-8-9-16-10-12(13)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid?
2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid is sourced from PubChem (CID 115008847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).