Record Information |
---|
Version | 1.0 |
---|
Creation date | 2011-09-21 00:13:40 UTC |
---|
Update date | 2015-07-21 06:57:12 UTC |
---|
Primary ID | FDB022415 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | D-1-Piperideine-2-carboxylic acid |
---|
Description | 1-Piperideine-2-carboxylic acid, also known as delta(1)-piperidine-2-carboxylate or 1,2-didehydropiperidine-2-carboxylate, belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. 1-Piperideine-2-carboxylic acid is a moderately basic compound (based on its pKa). |
---|
CAS Number | 2756-89-0 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C6H9NO2 |
---|
IUPAC name | 3,4,5,6-tetrahydropyridine-2-carboxylic acid |
---|
InChI Identifier | InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9) |
---|
InChI Key | GEJXSVNGWOSZPC-UHFFFAOYSA-N |
---|
Isomeric SMILES | OC(=O)C1=NCCCC1 |
---|
Average Molecular Weight | 127.1412 |
---|
Monoisotopic Molecular Weight | 127.063328537 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as tetrahydropyridines. These are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Pyridines and derivatives |
---|
Sub Class | Hydropyridines |
---|
Direct Parent | Tetrahydropyridines |
---|
Alternative Parents | |
---|
Substituents | - Tetrahydropyridine
- Ketimine
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Azacycle
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carbonyl group
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Imine
- Organic oxygen compound
- Organic nitrogen compound
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
|
Disposition | Biological location: Source: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | D-1-Piperideine-2-carboxylic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-054o-9000000000-faef06ea65c53c738e07 | Spectrum | Predicted GC-MS | D-1-Piperideine-2-carboxylic acid, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9200000000-e6b57b9a445998c98d4e | Spectrum | Predicted GC-MS | D-1-Piperideine-2-carboxylic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | D-1-Piperideine-2-carboxylic acid, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-2900000000-18bc515d926da96e5902 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-003r-7900000000-c3dfec63b6da113b8afd | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9100000000-469c9a3eba0aab2bcedf | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-1900000000-c001ef1bb3af1a3e99e5 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-003r-9500000000-da3a51be6597bb1a5651 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-001i-9000000000-a4a99a49d0d9a6292832 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01t9-3900000000-7acf87e49673fc08eeaa | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9400000000-b9fc4be5234b4880569a | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0zgl-9000000000-0cfd0825acb043e7a48b | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0059-6900000000-de321d632b2b23a4f2cc | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-73e218e05fb16ed08254 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053r-9000000000-9e9e210b523e73dbdd64 | 2021-09-23 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 1157 |
---|
ChEMBL ID | CHEMBL308149 |
---|
KEGG Compound ID | C04092 |
---|
Pubchem Compound ID | 1194 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | 30912 |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB01084 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | 35015 |
---|
KNApSAcK ID | Not Available |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Not Available |
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | |
---|