3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid

C11H15NO3 — CID 82527096

IUPAC3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
SMILESCC(C)n1cccc(CCC(=O)O)c1=O
InChIInChI=1S/C11H15NO3/c1-8(2)12-7-3-4-9(11(12)15)5-6-10(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyDJERSRLIOIGMNE-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.45
Rot. Bonds4

About 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid

3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid (PubChem CID 82527096) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
PubChem CID82527096
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
SMILESCC(C)n1cccc(CCC(=O)O)c1=O
InChIInChI=1S/C11H15NO3/c1-8(2)12-7-3-4-9(11(12)15)5-6-10(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)
InChIKeyDJERSRLIOIGMNE-UHFFFAOYSA-N
XLogP1.45
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82527174
3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82525236
4-oxo-4-(1-propan-2-ylpyrrol-2-yl)butanoic acid
CID 84734291
3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526557
3-[3-(2-oxo-3-propan-2-ylimidazol-1-yl)phenyl]propanoic acid
CID 117438341
2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 105480462
3-(4-fluoro-1-propan-2-ylindol-3-yl)propanoic acid
CID 117119748
3-[1-(2-methylpropyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82526723
2-[2-(2-carboxyethyl)phenyl]propanoic acid
CID 18790695
3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid
CID 82524208
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
3-[2-(2-carboxyethyl)-3-phosphanylphenyl]propanoic acid
CID 22492834

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid (CID 82527096) is 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid is CC(C)n1cccc(CCC(=O)O)c1=O.
What is the InChIKey of 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
The InChIKey is DJERSRLIOIGMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)12-7-3-4-9(11(12)15)5-6-10(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid?
3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 82527096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).