2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid

C14H21NO3 — CID 20720615

IUPAC2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid
SMILESCCCCC(C(=O)O)n1cc(C)cc(CC)c1=O
InChIInChI=1S/C14H21NO3/c1-4-6-7-12(14(17)18)15-9-10(3)8-11(5-2)13(15)16/h8-9,12H,4-7H2,1-3H3,(H,17,18)
InChIKeyNCAASGQORWVKDC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.54
Rot. Bonds6

About 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid

2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid (PubChem CID 20720615) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid.

Molecular Properties

Compound Name2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid
PubChem CID20720615
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid
SMILESCCCCC(C(=O)O)n1cc(C)cc(CC)c1=O
InChIInChI=1S/C14H21NO3/c1-4-6-7-12(14(17)18)15-9-10(3)8-11(5-2)13(15)16/h8-9,12H,4-7H2,1-3H3,(H,17,18)
InChIKeyNCAASGQORWVKDC-UHFFFAOYSA-N
XLogP2.54
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid?
The IUPAC name of 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid (CID 20720615) is 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid.
What is the SMILES notation for 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid?
The canonical SMILES for 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid is CCCCC(C(=O)O)n1cc(C)cc(CC)c1=O.
What is the InChIKey of 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid?
The InChIKey is NCAASGQORWVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-6-7-12(14(17)18)15-9-10(3)8-11(5-2)13(15)16/h8-9,12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid?
2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)hexanoic acid is sourced from PubChem (CID 20720615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).