2-(1-butyl-2-oxo-4-pyridinyl)acetic acid

C11H15NO3 — CID 53429105

IUPAC2-(1-butyl-2-oxo-4-pyridinyl)acetic acid
SMILESCCCCn1ccc(CC(=O)O)cc1=O
InChIInChI=1S/C11H15NO3/c1-2-3-5-12-6-4-9(7-10(12)13)8-11(14)15/h4,6-7H,2-3,5,8H2,1H3,(H,14,15)
InChIKeyZKOYVVTUAUXQTF-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.28
Rot. Bonds5

About 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid

2-(1-butyl-2-oxo-4-pyridinyl)acetic acid (PubChem CID 53429105) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(1-butyl-2-oxo-4-pyridinyl)acetic acid
PubChem CID53429105
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(1-butyl-2-oxo-4-pyridinyl)acetic acid
SMILESCCCCn1ccc(CC(=O)O)cc1=O
InChIInChI=1S/C11H15NO3/c1-2-3-5-12-6-4-9(7-10(12)13)8-11(14)15/h4,6-7H,2-3,5,8H2,1H3,(H,14,15)
InChIKeyZKOYVVTUAUXQTF-UHFFFAOYSA-N
XLogP1.28
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid?
The IUPAC name of 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid (CID 53429105) is 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid is CCCCn1ccc(CC(=O)O)cc1=O.
What is the InChIKey of 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid?
The InChIKey is ZKOYVVTUAUXQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-5-12-6-4-9(7-10(12)13)8-11(14)15/h4,6-7H,2-3,5,8H2,1H3,(H,14,15).
What are the key properties of 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid?
2-(1-butyl-2-oxo-4-pyridinyl)acetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2-oxo-4-pyridinyl)acetic acid is sourced from PubChem (CID 53429105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).