4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid

C12H15NO3 — CID 10632775

IUPAC4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
SMILESCC(=O)C(C)(CCC(=O)O)c1ccccn1
InChIInChI=1S/C12H15NO3/c1-9(14)12(2,7-6-11(15)16)10-5-3-4-8-13-10/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyZMUUXZUOMDDZIP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds5

About 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid

4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid (PubChem CID 10632775) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid.

Molecular Properties

Compound Name4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
PubChem CID10632775
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
SMILESCC(=O)C(C)(CCC(=O)O)c1ccccn1
InChIInChI=1S/C12H15NO3/c1-9(14)12(2,7-6-11(15)16)10-5-3-4-8-13-10/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyZMUUXZUOMDDZIP-UHFFFAOYSA-N
XLogP1.79
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
CID 115163912
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
methyl 4-methyl-4-pyridin-2-ylpentanoate
CID 5323750
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
2-but-2-enoxy-2-pyridin-2-ylpropanoic acid
CID 114998839
2-pyridin-2-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 114992469
3-oxo-1-phenyl-1-pyridin-2-ylbutan-1-olate
CID 102184338

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid?
The IUPAC name of 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid (CID 10632775) is 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid.
What is the SMILES notation for 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid?
The canonical SMILES for 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid is CC(=O)C(C)(CCC(=O)O)c1ccccn1.
What is the InChIKey of 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid?
The InChIKey is ZMUUXZUOMDDZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)12(2,7-6-11(15)16)10-5-3-4-8-13-10/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid?
4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid is sourced from PubChem (CID 10632775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).