4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid

C9H13NO2 — CID 105433428

IUPAC4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESO=C(O)C1=C(C2CC2)CCNC1
InChIInChI=1S/C9H13NO2/c11-9(12)8-5-10-4-3-7(8)6-1-2-6/h6,10H,1-5H2,(H,11,12)
InChIKeyFXMGCPOMWLUSDR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.77
Rot. Bonds2

About 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid

4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid (PubChem CID 105433428) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
PubChem CID105433428
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESO=C(O)C1=C(C2CC2)CCNC1
InChIInChI=1S/C9H13NO2/c11-9(12)8-5-10-4-3-7(8)6-1-2-6/h6,10H,1-5H2,(H,11,12)
InChIKeyFXMGCPOMWLUSDR-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-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 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid (CID 105433428) is 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid is O=C(O)C1=C(C2CC2)CCNC1.
What is the InChIKey of 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The InChIKey is FXMGCPOMWLUSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c11-9(12)8-5-10-4-3-7(8)6-1-2-6/h6,10H,1-5H2,(H,11,12).
What are the key properties of 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid has a molecular weight of 167.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid is sourced from PubChem (CID 105433428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).