2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid

C16H17NO3 — CID 68535624

IUPAC2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)c1c(C)ccn(-c2ccccc2)c1=O
InChIInChI=1S/C16H17NO3/c1-3-13(16(19)20)14-11(2)9-10-17(15(14)18)12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3,(H,19,20)
InChIKeyCOZOBURPLVFYPE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid

2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid (PubChem CID 68535624) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid
PubChem CID68535624
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)c1c(C)ccn(-c2ccccc2)c1=O
InChIInChI=1S/C16H17NO3/c1-3-13(16(19)20)14-11(2)9-10-17(15(14)18)12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3,(H,19,20)
InChIKeyCOZOBURPLVFYPE-UHFFFAOYSA-N
XLogP2.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid?
The IUPAC name of 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid (CID 68535624) is 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid.
What is the SMILES notation for 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid?
The canonical SMILES for 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid is CCC(C(=O)O)c1c(C)ccn(-c2ccccc2)c1=O.
What is the InChIKey of 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid?
The InChIKey is COZOBURPLVFYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-13(16(19)20)14-11(2)9-10-17(15(14)18)12-7-5-4-6-8-12/h4-10,13H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid?
2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1-phenyl-3-pyridinyl)butanoic acid is sourced from PubChem (CID 68535624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).