2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid

C17H19NO2 — CID 116824819

IUPAC2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
SMILESCC(C)(C)c1ccc(C(C(=O)O)c2cccnc2)cc1
InChIInChI=1S/C17H19NO2/c1-17(2,3)14-8-6-12(7-9-14)15(16(19)20)13-5-4-10-18-11-13/h4-11,15H,1-3H3,(H,19,20)
InChIKeyMZYDQLQTCHGQHI-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid

2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid (PubChem CID 116824819) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
PubChem CID116824819
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
SMILESCC(C)(C)c1ccc(C(C(=O)O)c2cccnc2)cc1
InChIInChI=1S/C17H19NO2/c1-17(2,3)14-8-6-12(7-9-14)15(16(19)20)13-5-4-10-18-11-13/h4-11,15H,1-3H3,(H,19,20)
InChIKeyMZYDQLQTCHGQHI-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid
CID 116824852
2-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 134951743
2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid
CID 116824877
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
N-(4-tert-butylphenyl)-2-phenoxy-2-pyridin-3-ylacetamide
CID 68648508
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile
CID 10092996
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid (CID 116824819) is 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid is CC(C)(C)c1ccc(C(C(=O)O)c2cccnc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid?
The InChIKey is MZYDQLQTCHGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,3)14-8-6-12(7-9-14)15(16(19)20)13-5-4-10-18-11-13/h4-11,15H,1-3H3,(H,19,20).
What are the key properties of 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid?
2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid has a molecular weight of 269.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 116824819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).