metabolite

Showing entry for Pipecolic acid

Identification

PhytoHub ID
PHUB002353
Name
Pipecolic acid
Systematic Name
piperidine-2-carboxylic acid
Synonyms
  • Dihydrobaikiane
  • DL-Homoproline
  • Pipecolate
  • Pipecolic acid
  • pipecolic acid hydrochloride, (+-)-isomer
  • Pipecolinate
  • piperidine-2-carboxylic acid
CAS Number
535-75-1
Average Mass
129.159
Monoisotopic Mass
129.078978598
Chemical Formula
C6H11NO2
IUPAC Name
piperidine-2-carboxylic acid
InChI Key
HXEACLLIILLPRG-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
SMILES
OC(=O)C1CCCCN1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.58e+02 g/l
LogS (ALOGPS)
0.09
LogP (ALOGPS)
-2.17
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
1
Polar Surface Area
49.33
Refractivity
32.6653
Polarizability
13.511159722627214
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
10.388033490366288
pKa (strongest acidic)
2.063103444066461
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
N-containing compound metabolites
Class
Amino acid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
LysineN-containing compoundsAmino acidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
LysineCommon beanPulses and beans PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Lysine Pipecolic acidhumanurineunknownNot AvailableNot AvailableNot AvailableC6H11NO2129.078978598 Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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