2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid

C18H19NO2 — CID 117048309

IUPAC2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESCC(Cc1cccnc1)(C(=O)O)c1ccc(C2CC2)cc1
InChIInChI=1S/C18H19NO2/c1-18(17(20)21,11-13-3-2-10-19-12-13)16-8-6-15(7-9-16)14-4-5-14/h2-3,6-10,12,14H,4-5,11H2,1H3,(H,20,21)
InChIKeyJJQMFUQNQXTZHX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid

2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid (PubChem CID 117048309) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
PubChem CID117048309
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
SMILESCC(Cc1cccnc1)(C(=O)O)c1ccc(C2CC2)cc1
InChIInChI=1S/C18H19NO2/c1-18(17(20)21,11-13-3-2-10-19-12-13)16-8-6-15(7-9-16)14-4-5-14/h2-3,6-10,12,14H,4-5,11H2,1H3,(H,20,21)
InChIKeyJJQMFUQNQXTZHX-UHFFFAOYSA-N
XLogP3.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropanoic acid
CID 117048330
2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048315
2-(3-aminophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048325
2-[2-amino-4-(trifluoromethyl)phenyl]-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048319
3-cyano-2-(4-cyclopropylphenyl)-2-methylpropanoic acid
CID 117049443
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
2-(2,4-dichlorophenyl)-2-methyl-3-pyridin-3-ylpropanoic acid
CID 117048305
2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
CID 116505569
ethyl 2-(4-cyanophenyl)-2-methyl-3-pyridin-3-ylpropanoate
CID 117048352
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid (CID 117048309) is 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid is CC(Cc1cccnc1)(C(=O)O)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
The InChIKey is JJQMFUQNQXTZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(17(20)21,11-13-3-2-10-19-12-13)16-8-6-15(7-9-16)14-4-5-14/h2-3,6-10,12,14H,4-5,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid?
2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid has a molecular weight of 281.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-2-methyl-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 117048309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).