2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid

C11H15NO2 — CID 115008844

IUPAC2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid
SMILESCCc1cnccc1C(C)(C)C(=O)O
InChIInChI=1S/C11H15NO2/c1-4-8-7-12-6-5-9(8)11(2,3)10(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyLFZRHZRZPSIZKM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.01
Rot. Bonds3

About 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid

2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid (PubChem CID 115008844) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid
PubChem CID115008844
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid
SMILESCCc1cnccc1C(C)(C)C(=O)O
InChIInChI=1S/C11H15NO2/c1-4-8-7-12-6-5-9(8)11(2,3)10(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyLFZRHZRZPSIZKM-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008846
2-methyl-2-(3-phenyl-4-pyridinyl)propanoic acid
CID 115008847
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
3,4-diethylpyridine;ethane
CID 90914060
2-methyl-2-pyrimidin-4-ylpropanoic acid
CID 82414356
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
CID 84676768
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid (CID 115008844) is 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid is CCc1cnccc1C(C)(C)C(=O)O.
What is the InChIKey of 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid?
The InChIKey is LFZRHZRZPSIZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-8-7-12-6-5-9(8)11(2,3)10(13)14/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid?
2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 115008844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).