Pipecolic acid
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
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
External Links
- PubChem
- 849
Taxonomy as Metabolite
- Family
- N-containing compound metabolites
- Class
- Amino acid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
Food Phytochemical | Family | Class | Sub-class | |
---|---|---|---|---|
Lysine | N-containing compounds | Amino acids | Not Available | Show Food Phytochemical |
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
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Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Food Phytochemical | Food Source | Food Source Group | |||
---|---|---|---|---|---|
Lysine | Common bean | Pulses and beans | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lysine | Pipecolic acid | human | urine | unknown | Not Available | Not Available | Not Available | C6H11NO2 | 129.078978598 | Detailed Intervention Studies | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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