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

C6H9NO2 — CID 557590

IUPAC1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESO=C(O)C1CC=CCN1
InChIInChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)
InChIKeyYCQPUTODZKESPK-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.01
Rot. Bonds1

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

1,2,3,6-tetrahydropyridine-2-carboxylic acid (PubChem CID 557590) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-2-carboxylic acid
PubChem CID557590
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1,2,3,6-tetrahydropyridine-2-carboxylic acid
SMILESO=C(O)C1CC=CCN1
InChIInChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9)
InChIKeyYCQPUTODZKESPK-UHFFFAOYSA-N
XLogP-0.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.01
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
(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
2,5-Dihydrophenyl-alanine
CID 21145175
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?
The IUPAC name of 1,2,3,6-tetrahydropyridine-2-carboxylic acid (CID 557590) is 1,2,3,6-tetrahydropyridine-2-carboxylic acid.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-2-carboxylic acid is O=C(O)C1CC=CCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-2-carboxylic acid?
The InChIKey is YCQPUTODZKESPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-2,5,7H,3-4H2,(H,8,9).
What are the key properties of 1,2,3,6-tetrahydropyridine-2-carboxylic acid?
1,2,3,6-tetrahydropyridine-2-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of -0.01, 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 is sourced from PubChem (CID 557590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).