3-(4-cyclopropyl-3-pyridinyl)butanoic acid

C12H15NO2 — CID 83832846

IUPAC3-(4-cyclopropyl-3-pyridinyl)butanoic acid
SMILESCC(CC(=O)O)c1cnccc1C1CC1
InChIInChI=1S/C12H15NO2/c1-8(6-12(14)15)11-7-13-5-4-10(11)9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,14,15)
InChIKeyCCFYVVZQUYEJCT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.54
Rot. Bonds4

About 3-(4-cyclopropyl-3-pyridinyl)butanoic acid

3-(4-cyclopropyl-3-pyridinyl)butanoic acid (PubChem CID 83832846) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(4-cyclopropyl-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropyl-3-pyridinyl)butanoic acid
PubChem CID83832846
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(4-cyclopropyl-3-pyridinyl)butanoic acid
SMILESCC(CC(=O)O)c1cnccc1C1CC1
InChIInChI=1S/C12H15NO2/c1-8(6-12(14)15)11-7-13-5-4-10(11)9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,14,15)
InChIKeyCCFYVVZQUYEJCT-UHFFFAOYSA-N
XLogP2.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-cyclopropyl-3-pyridinyl)butanoic 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 3-(4-cyclopropyl-3-pyridinyl)butanoic acid?
The IUPAC name of 3-(4-cyclopropyl-3-pyridinyl)butanoic acid (CID 83832846) is 3-(4-cyclopropyl-3-pyridinyl)butanoic acid.
What is the SMILES notation for 3-(4-cyclopropyl-3-pyridinyl)butanoic acid?
The canonical SMILES for 3-(4-cyclopropyl-3-pyridinyl)butanoic acid is CC(CC(=O)O)c1cnccc1C1CC1.
What is the InChIKey of 3-(4-cyclopropyl-3-pyridinyl)butanoic acid?
The InChIKey is CCFYVVZQUYEJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(6-12(14)15)11-7-13-5-4-10(11)9-2-3-9/h4-5,7-9H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 3-(4-cyclopropyl-3-pyridinyl)butanoic acid?
3-(4-cyclopropyl-3-pyridinyl)butanoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-3-pyridinyl)butanoic acid is sourced from PubChem (CID 83832846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).