4-methyl-4-pyridin-2-ylpentanoic acid

C11H15NO2 — CID 10655411

IUPAC4-methyl-4-pyridin-2-ylpentanoic acid
SMILESCC(C)(CCC(=O)O)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-11(2,7-6-10(13)14)9-5-3-4-8-12-9/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyZHIFDRJPSKDKRD-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.22
Rot. Bonds4

About 4-methyl-4-pyridin-2-ylpentanoic acid

4-methyl-4-pyridin-2-ylpentanoic acid (PubChem CID 10655411) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-methyl-4-pyridin-2-ylpentanoic acid.

Molecular Properties

Compound Name4-methyl-4-pyridin-2-ylpentanoic acid
PubChem CID10655411
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-methyl-4-pyridin-2-ylpentanoic acid
SMILESCC(C)(CCC(=O)O)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-11(2,7-6-10(13)14)9-5-3-4-8-12-9/h3-5,8H,6-7H2,1-2H3,(H,13,14)
InChIKeyZHIFDRJPSKDKRD-UHFFFAOYSA-N
XLogP2.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-4-pyridin-2-ylpentanoic 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

4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
CID 10632775
methyl 4-methyl-4-pyridin-2-ylpentanoate
CID 5323750
5-[(2-methyl-2-pyridin-2-ylpropyl)amino]-5-oxopentanoic acid
CID 115163912
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
acetic acid;2-(1,1-difluoroethyl)pyridine
CID 174788262
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
1-(hydroxymethyl)-N-(2-methyl-2-pyridin-2-ylpropyl)cyclopropane-1-carboxamide
CID 115182494
2-but-2-enoxy-2-pyridin-2-ylpropanoic acid
CID 114998839
2-pyridin-2-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 114992469

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-pyridin-2-ylpentanoic acid?
The IUPAC name of 4-methyl-4-pyridin-2-ylpentanoic acid (CID 10655411) is 4-methyl-4-pyridin-2-ylpentanoic acid.
What is the SMILES notation for 4-methyl-4-pyridin-2-ylpentanoic acid?
The canonical SMILES for 4-methyl-4-pyridin-2-ylpentanoic acid is CC(C)(CCC(=O)O)c1ccccn1.
What is the InChIKey of 4-methyl-4-pyridin-2-ylpentanoic acid?
The InChIKey is ZHIFDRJPSKDKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,7-6-10(13)14)9-5-3-4-8-12-9/h3-5,8H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-4-pyridin-2-ylpentanoic acid?
4-methyl-4-pyridin-2-ylpentanoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-pyridin-2-ylpentanoic acid is sourced from PubChem (CID 10655411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).