2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid

C11H15NO2 — CID 83830381

IUPAC2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
SMILESCCC(C)(C(=O)O)c1ccc(C)nc1
InChIInChI=1S/C11H15NO2/c1-4-11(3,10(13)14)9-6-5-8(2)12-7-9/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyFZGUPAOZSBEPLI-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.14
Rot. Bonds3

About 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid

2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid (PubChem CID 83830381) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
PubChem CID83830381
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid
SMILESCCC(C)(C(=O)O)c1ccc(C)nc1
InChIInChI=1S/C11H15NO2/c1-4-11(3,10(13)14)9-6-5-8(2)12-7-9/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyFZGUPAOZSBEPLI-UHFFFAOYSA-N
XLogP2.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-methyl-2-(6-methyl-3-pyridinyl)propanoate
CID 63158204
2-(4-aminophenyl)-2-methylbutanoic acid
CID 67863083
5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
2-methyl-2-(4-methylpyrimidin-2-yl)butanoic acid
CID 130545057
2-methyl-3-(6-methyl-3-pyridinyl)pentan-3-ol
CID 63155846
2-methyl-2-(3-methyl-4-nitrophenyl)butanoic acid
CID 67439679
2-methyl-5-(2-nitrosopropan-2-yl)pyridine
CID 126747574
1-(6-methyl-3-pyridinyl)-1-phenylbutan-1-ol
CID 63155797
(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-3-(6-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 174451830
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
2-(dimethylamino)-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 79050965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid?
The IUPAC name of 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid (CID 83830381) is 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid?
The canonical SMILES for 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid is CCC(C)(C(=O)O)c1ccc(C)nc1.
What is the InChIKey of 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid?
The InChIKey is FZGUPAOZSBEPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-11(3,10(13)14)9-6-5-8(2)12-7-9/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid?
2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methyl-3-pyridinyl)butanoic acid is sourced from PubChem (CID 83830381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).