3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid

C15H15NO3 — CID 63073572

IUPAC3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid
SMILESCc1cccc(=O)n1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO3/c1-11-6-5-9-14(17)16(11)10-13(15(18)19)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,18,19)
InChIKeyVTBWQTHBOAMPTG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.03
Rot. Bonds4

About 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid

3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid (PubChem CID 63073572) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid
PubChem CID63073572
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid
SMILESCc1cccc(=O)n1CC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO3/c1-11-6-5-9-14(17)16(11)10-13(15(18)19)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,18,19)
InChIKeyVTBWQTHBOAMPTG-UHFFFAOYSA-N
XLogP2.03
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic 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

(2R)-3-(2,6-dimethyl-4-oxo-1-pyridinyl)-2-phenylpropanoic acid
CID 124516998
1-(3-chloro-2-hydroxypropyl)-6-methylpyridin-2-one
CID 112560173
2-phenylbutanedioic acid
CID 161009404
4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
CID 60875461
3-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-2-phenylpropanoic acid
CID 63271697
europium;tris(2-phenylbutanedioic acid)
CID 156846982
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
4-oxo-2-phenylhexanoic acid
CID 13284198
3-(3-methylindol-1-yl)-2-phenylpropanoic acid
CID 63073735
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 15210283
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylpropanoic acid
CID 54772530

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid?
The IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid (CID 63073572) is 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid is Cc1cccc(=O)n1CC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid?
The InChIKey is VTBWQTHBOAMPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-6-5-9-14(17)16(11)10-13(15(18)19)12-7-3-2-4-8-12/h2-9,13H,10H2,1H3,(H,18,19).
What are the key properties of 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid?
3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-oxo-1-pyridinyl)-2-phenylpropanoic acid is sourced from PubChem (CID 63073572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).