1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride

C6H10ClNO2 — CID 67783700

IUPAC1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC=CCN1
InChIInChI=1S/C6H9NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h1-2,5,7H,3-4H2,(H,8,9);1H
InChIKeyALPNLNQINLZHGM-UHFFFAOYSA-N
MW163.60 g/mol
LogP0.41
Rot. Bonds1

About 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride

1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride (PubChem CID 67783700) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride
PubChem CID67783700
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC=CCN1
InChIInChI=1S/C6H9NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h1-2,5,7H,3-4H2,(H,8,9);1H
InChIKeyALPNLNQINLZHGM-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-Dehydro-L-proline
CID 94284
3,4-Dehydroproline
CID 97858
(S)-4,5-Didehydropipecolic acid
CID 441442
1,2,3,6-Tetrahydro-2-pyridinecarboxylic acid
CID 557590
(2S)-1,2,3,6-tetrahydropyridin-1-ium-2-carboxylate
CID 40429482
Methyl 1,2,3,6-tetrahydropyridine-2-carboxylate hydrochloride
CID 145874787
(2S)-1,2,3,6,7,8-hexahydroazocine-2-carboxylic acid hydrochloride
CID 165791812
(R)-2,5-Dihydro-1H-pyrrole-2-carboxylic acid
CID 6994108
(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
CID 15233514
2-Acetamidohex-4-enoic acid
CID 19364695
Dihydrophenylglycine
CID 22328589
Dihydrophenyl-l-alanine
CID 53870320

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride (CID 67783700) is 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC=CCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride?
The InChIKey is ALPNLNQINLZHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c8-6(9)5-3-1-2-4-7-5;/h1-2,5,7H,3-4H2,(H,8,9);1H.
What are the key properties of 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride?
1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67783700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).