2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid

C9H11NO3 — CID 90227881

IUPAC2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCc1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C9H11NO3/c1-2-7-3-4-8(11)10(5-7)6-9(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyPBOPRBJMKOWGJQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.50
Rot. Bonds3

About 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid

2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid (PubChem CID 90227881) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid
PubChem CID90227881
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid
SMILESCCc1ccc(=O)n(CC(=O)O)c1
InChIInChI=1S/C9H11NO3/c1-2-7-3-4-8(11)10(5-7)6-9(12)13/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyPBOPRBJMKOWGJQ-UHFFFAOYSA-N
XLogP0.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-ethyl-2-oxo-1-pyridinyl)acetic 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-(5-ethyl-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid (CID 90227881) is 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid is CCc1ccc(=O)n(CC(=O)O)c1.
What is the InChIKey of 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is PBOPRBJMKOWGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-7-3-4-8(11)10(5-7)6-9(12)13/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid?
2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 90227881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).