2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid

C11H15NO3 — CID 82032056

IUPAC2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)n1cccc(C)c1=O
InChIInChI=1S/C11H15NO3/c1-3-5-9(11(14)15)12-7-4-6-8(2)10(12)13/h4,6-7,9H,3,5H2,1-2H3,(H,14,15)
InChIKeyGJMSCIKCPZYTNC-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid

2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid (PubChem CID 82032056) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid
PubChem CID82032056
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)n1cccc(C)c1=O
InChIInChI=1S/C11H15NO3/c1-3-5-9(11(14)15)12-7-4-6-8(2)10(12)13/h4,6-7,9H,3,5H2,1-2H3,(H,14,15)
InChIKeyGJMSCIKCPZYTNC-UHFFFAOYSA-N
XLogP1.58
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid?
The IUPAC name of 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid (CID 82032056) is 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid.
What is the SMILES notation for 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid?
The canonical SMILES for 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid is CCCC(C(=O)O)n1cccc(C)c1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid?
The InChIKey is GJMSCIKCPZYTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-5-9(11(14)15)12-7-4-6-8(2)10(12)13/h4,6-7,9H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid?
2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1-pyridinyl)pentanoic acid is sourced from PubChem (CID 82032056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).