1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid

C11H13NO3 — CID 130556374

IUPAC1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid
SMILESCC1CCC1n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C11H13NO3/c1-7-2-4-9(7)12-6-8(11(14)15)3-5-10(12)13/h3,5-7,9H,2,4H2,1H3,(H,14,15)
InChIKeyGDTOFXDQMZIHBH-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.52
Rot. Bonds2

About 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid

1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 130556374) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid
PubChem CID130556374
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid
SMILESCC1CCC1n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C11H13NO3/c1-7-2-4-9(7)12-6-8(11(14)15)3-5-10(12)13/h3,5-7,9H,2,4H2,1H3,(H,14,15)
InChIKeyGDTOFXDQMZIHBH-UHFFFAOYSA-N
XLogP1.52
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyloxan-4-yl)-6-oxopyridine-3-carboxylic acid
CID 83039302
1-(2,2-dimethylcyclohexyl)-6-oxopyridine-3-carboxylic acid
CID 79878468
6-oxo-1-(thiolan-3-yl)pyridine-3-carboxylic acid
CID 103064580
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
6-oxo-1-(trideuteriomethyl)pyridine-3-carboxylic acid
CID 163342863
1-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 55140850
1-(2,4-dimethylcyclohexyl)benzimidazole-5-carboxylic acid
CID 63998776
benzoic acid;methylcyclopentane
CID 68907828
1-[1-[[1-(4-methylphenyl)cyclohexyl]methyl]piperidin-4-yl]-6-oxopyridine-3-carboxylic acid
CID 110129643
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61488673
1-[2-[cyclopentyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxylic acid
CID 63316438
4-[(4-methylcyclohexyl)oxymethyl]benzoic acid
CID 43185253

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid (CID 130556374) is 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid is CC1CCC1n1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is GDTOFXDQMZIHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-2-4-9(7)12-6-8(11(14)15)3-5-10(12)13/h3,5-7,9H,2,4H2,1H3,(H,14,15).
What are the key properties of 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid?
1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclobutyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 130556374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).