4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid

C10H13NO3 — CID 60875461

IUPAC4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
SMILESCc1cccc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H13NO3/c1-8-4-2-5-9(12)11(8)7-3-6-10(13)14/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyBDDMBWZIAYIDGH-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds4

About 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid

4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid (PubChem CID 60875461) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
PubChem CID60875461
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
SMILESCc1cccc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H13NO3/c1-8-4-2-5-9(12)11(8)7-3-6-10(13)14/h2,4-5H,3,6-7H2,1H3,(H,13,14)
InChIKeyBDDMBWZIAYIDGH-UHFFFAOYSA-N
XLogP1.02
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-(4-oxopentyl)pyridin-2-one
CID 62023067
methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
CID 60875653
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200
1-(2-bromoethyl)-6-methylpyridin-2-one
CID 60876418
4-(2-methylpyrrol-1-yl)butanoic acid
CID 86172313
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
1-(methoxymethyl)-6-methylpyridin-2-one
CID 14787165
N-(4-carbamothioylphenyl)-5-(2-methyl-6-oxo-1-pyridinyl)pentanamide
CID 82032013
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
2-methyl-1-(2-methylcyclopropyl)-3-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]guanidine
CID 111963391
N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 82032029
4-(7-methyl-2,3-dioxoindol-1-yl)butanoic acid
CID 61147180

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid (CID 60875461) is 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid is Cc1cccc(=O)n1CCCC(=O)O.
What is the InChIKey of 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid?
The InChIKey is BDDMBWZIAYIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8-4-2-5-9(12)11(8)7-3-6-10(13)14/h2,4-5H,3,6-7H2,1H3,(H,13,14).
What are the key properties of 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid?
4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 60875461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).