5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid

C8H13NO2 — CID 91134630

IUPAC5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid
SMILESCCC1CCCN=C1C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-6-4-3-5-9-7(6)8(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyOSAIIQNLHWEQTE-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.33
Rot. Bonds2

About 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid

5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid (PubChem CID 91134630) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid
PubChem CID91134630
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid
SMILESCCC1CCCN=C1C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-6-4-3-5-9-7(6)8(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyOSAIIQNLHWEQTE-UHFFFAOYSA-N
XLogP1.33
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-2,3,4,5-tetrahydropyridine-6-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 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid?
The IUPAC name of 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid (CID 91134630) is 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid.
What is the SMILES notation for 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid?
The canonical SMILES for 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid is CCC1CCCN=C1C(=O)O.
What is the InChIKey of 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid?
The InChIKey is OSAIIQNLHWEQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-6-4-3-5-9-7(6)8(10)11/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid?
5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,4,5-tetrahydropyridine-6-carboxylic acid is sourced from PubChem (CID 91134630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).