4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid

C17H19NO4 — CID 67609165

IUPAC4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(Oc2ccccc2)cc1=O
InChIInChI=1S/C17H19NO4/c1-12(2)10-15(17(20)21)18-9-8-14(11-16(18)19)22-13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3,(H,20,21)
InChIKeyLAYVVWHALPJEPX-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.31
Rot. Bonds6

About 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid

4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid (PubChem CID 67609165) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid
PubChem CID67609165
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(Oc2ccccc2)cc1=O
InChIInChI=1S/C17H19NO4/c1-12(2)10-15(17(20)21)18-9-8-14(11-16(18)19)22-13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3,(H,20,21)
InChIKeyLAYVVWHALPJEPX-UHFFFAOYSA-N
XLogP3.31
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(2-oxo-4-phenoxy-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 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid (CID 67609165) is 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid is CC(C)CC(C(=O)O)n1ccc(Oc2ccccc2)cc1=O.
What is the InChIKey of 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid?
The InChIKey is LAYVVWHALPJEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12(2)10-15(17(20)21)18-9-8-14(11-16(18)19)22-13-6-4-3-5-7-13/h3-9,11-12,15H,10H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid?
4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid has a molecular weight of 301.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxo-4-phenoxy-1-pyridinyl)pentanoic acid is sourced from PubChem (CID 67609165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).