2-(3-cyanophenyl)-2-methylpropanoic acid

C11H11NO2 — CID 22343997

IUPAC2-(3-cyanophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(C#N)c1
InChIInChI=1S/C11H11NO2/c1-11(2,10(13)14)9-5-3-4-8(6-9)7-12/h3-6H,1-2H3,(H,13,14)
InChIKeyRPYGNUJSGOMETM-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.92
Rot. Bonds2

About 2-(3-cyanophenyl)-2-methylpropanoic acid

2-(3-cyanophenyl)-2-methylpropanoic acid (PubChem CID 22343997) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-cyanophenyl)-2-methylpropanoic acid
PubChem CID22343997
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(3-cyanophenyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cccc(C#N)c1
InChIInChI=1S/C11H11NO2/c1-11(2,10(13)14)9-5-3-4-8(6-9)7-12/h3-6H,1-2H3,(H,13,14)
InChIKeyRPYGNUJSGOMETM-UHFFFAOYSA-N
XLogP1.92
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22677001
3-(2-sulfanylpropan-2-yl)benzonitrile
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3-(2-carboxypropan-2-yl)benzoic acid
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2-(3-chlorophenyl)-2-methylpropanoic acid
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3-(azanylidyne(113C)methyl)(13C)benzoic acid
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N-(2-adamantyl)-2-(3-cyanophenyl)-2-methylpropanamide
CID 59658247
3-(2-methoxypropan-2-yl)benzonitrile
CID 89355982
2-(3-cyanophenyl)-N-(3-hydroxy-2,2,4-trimethylpentyl)-2-methylpropanamide
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3-cyanobenzoic acid;silver
CID 88821173
3-(3-methylpenta-1,4-dien-3-yl)benzonitrile
CID 169282312

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-cyanophenyl)-2-methylpropanoic acid (CID 22343997) is 2-(3-cyanophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-cyanophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-cyanophenyl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyanophenyl)-2-methylpropanoic acid?
The InChIKey is RPYGNUJSGOMETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-11(2,10(13)14)9-5-3-4-8(6-9)7-12/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-(3-cyanophenyl)-2-methylpropanoic acid?
2-(3-cyanophenyl)-2-methylpropanoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 22343997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).