2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid

C18H21NO2 — CID 117048330

IUPAC2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid
SMILESCC(C)c1ccc(C(C)(Cc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)15-6-8-16(9-7-15)18(3,17(20)21)11-14-5-4-10-19-12-14/h4-10,12-13H,11H2,1-3H3,(H,20,21)
InChIKeyTYNIYIRBUDIKOR-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.79
Rot. Bonds5

About 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid

2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid (PubChem CID 117048330) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid
PubChem CID117048330
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid
SMILESCC(C)c1ccc(C(C)(Cc2cccnc2)C(=O)O)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)15-6-8-16(9-7-15)18(3,17(20)21)11-14-5-4-10-19-12-14/h4-10,12-13H,11H2,1-3H3,(H,20,21)
InChIKeyTYNIYIRBUDIKOR-UHFFFAOYSA-N
XLogP3.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048315
2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048309
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048325
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048305
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048319
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
ethyl 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoate
CID 117048352
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
CID 174770449
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
CID 116824819
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid (CID 117048330) is 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid is CC(C)c1ccc(C(C)(Cc2cccnc2)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid?
The InChIKey is TYNIYIRBUDIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)15-6-8-16(9-7-15)18(3,17(20)21)11-14-5-4-10-19-12-14/h4-10,12-13H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid?
2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 117048330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).