4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid

C10H13NO3 — CID 39103288

IUPAC4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid
SMILESCc1ccc(=O)n(CCCC(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-8-4-5-9(12)11(7-8)6-2-3-10(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyKXJZENDOWWVVRJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds4

About 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid

4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 39103288) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid
PubChem CID39103288
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid
SMILESCc1ccc(=O)n(CCCC(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-8-4-5-9(12)11(7-8)6-2-3-10(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyKXJZENDOWWVVRJ-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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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid (CID 39103288) is 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid is Cc1ccc(=O)n(CCCC(=O)O)c1.
What is the InChIKey of 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is KXJZENDOWWVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8-4-5-9(12)11(7-8)6-2-3-10(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 4-(5-methyl-2-oxo-1-pyridinyl)butanoic acid?
4-(5-methyl-2-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-(5-methyl-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 39103288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).