2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid

C9H15NO2 — CID 15696616

IUPAC2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESCCCC1CC=C(C(=O)O)CN1
InChIInChI=1S/C9H15NO2/c1-2-3-8-5-4-7(6-10-8)9(11)12/h4,8,10H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyQVSTYNPAJYQWDR-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.16
Rot. Bonds3

About 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid

2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid (PubChem CID 15696616) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
PubChem CID15696616
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESCCCC1CC=C(C(=O)O)CN1
InChIInChI=1S/C9H15NO2/c1-2-3-8-5-4-7(6-10-8)9(11)12/h4,8,10H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyQVSTYNPAJYQWDR-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic 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 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The IUPAC name of 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid (CID 15696616) is 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid.
What is the SMILES notation for 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The canonical SMILES for 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid is CCCC1CC=C(C(=O)O)CN1.
What is the InChIKey of 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The InChIKey is QVSTYNPAJYQWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-8-5-4-7(6-10-8)9(11)12/h4,8,10H,2-3,5-6H2,1H3,(H,11,12).
What are the key properties of 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid is sourced from PubChem (CID 15696616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).