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

C8H13NO2 — CID 15696615

IUPAC2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESCCC1CC=C(C(=O)O)CN1
InChIInChI=1S/C8H13NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h3,7,9H,2,4-5H2,1H3,(H,10,11)
InChIKeyZXMUMSYZIIOMLH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.77
Rot. Bonds2

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

2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid (PubChem CID 15696615) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
PubChem CID15696615
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
SMILESCCC1CC=C(C(=O)O)CN1
InChIInChI=1S/C8H13NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h3,7,9H,2,4-5H2,1H3,(H,10,11)
InChIKeyZXMUMSYZIIOMLH-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The IUPAC name of 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid (CID 15696615) is 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid is CCC1CC=C(C(=O)O)CN1.
What is the InChIKey of 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
The InChIKey is ZXMUMSYZIIOMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-7-4-3-6(5-9-7)8(10)11/h3,7,9H,2,4-5H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid?
2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid has a molecular weight of 155.20 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 2-ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid is sourced from PubChem (CID 15696615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).