2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid

C13H19NO3 — CID 79884478

IUPAC2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid
SMILESCc1cc(=O)cc(C)n1C(CC(C)C)C(=O)O
InChIInChI=1S/C13H19NO3/c1-8(2)5-12(13(16)17)14-9(3)6-11(15)7-10(14)4/h6-8,12H,5H2,1-4H3,(H,16,17)
InChIKeyJRHVORCEJWETTR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.14
Rot. Bonds4

About 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid (PubChem CID 79884478) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid
PubChem CID79884478
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid
SMILESCc1cc(=O)cc(C)n1C(CC(C)C)C(=O)O
InChIInChI=1S/C13H19NO3/c1-8(2)5-12(13(16)17)14-9(3)6-11(15)7-10(14)4/h6-8,12H,5H2,1-4H3,(H,16,17)
InChIKeyJRHVORCEJWETTR-UHFFFAOYSA-N
XLogP2.14
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid?
The IUPAC name of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid (CID 79884478) is 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid is Cc1cc(=O)cc(C)n1C(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid?
The InChIKey is JRHVORCEJWETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)5-12(13(16)17)14-9(3)6-11(15)7-10(14)4/h6-8,12H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid?
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylpentanoic acid is sourced from PubChem (CID 79884478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).