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

C6H9NO2 — CID 1194

IUPAC2,3,4,5-tetrahydropyridine-6-carboxylic acid
SMILESO=C(O)C1=NCCCC1
InChIInChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)
InChIKeyGEJXSVNGWOSZPC-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.70
Rot. Bonds1

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

2,3,4,5-tetrahydropyridine-6-carboxylic acid (PubChem CID 1194) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2,3,4,5-tetrahydropyridine-6-carboxylic acid.

Molecular Properties

Compound Name2,3,4,5-tetrahydropyridine-6-carboxylic acid
PubChem CID1194
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2,3,4,5-tetrahydropyridine-6-carboxylic acid
SMILESO=C(O)C1=NCCCC1
InChIInChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)
InChIKeyGEJXSVNGWOSZPC-UHFFFAOYSA-N
XLogP0.70
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydropyridine-6-carboxylic acid?
The IUPAC name of 2,3,4,5-tetrahydropyridine-6-carboxylic acid (CID 1194) is 2,3,4,5-tetrahydropyridine-6-carboxylic acid.
What is the SMILES notation for 2,3,4,5-tetrahydropyridine-6-carboxylic acid?
The canonical SMILES for 2,3,4,5-tetrahydropyridine-6-carboxylic acid is O=C(O)C1=NCCCC1.
What is the InChIKey of 2,3,4,5-tetrahydropyridine-6-carboxylic acid?
The InChIKey is GEJXSVNGWOSZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9).
What are the key properties of 2,3,4,5-tetrahydropyridine-6-carboxylic acid?
2,3,4,5-tetrahydropyridine-6-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydropyridine-6-carboxylic acid is sourced from PubChem (CID 1194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).