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3105-95-1 molecular structure
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(2S)-piperidine-2-carboxylic acid

ChemBase ID: 103484
Molecular Formular: C6H11NO2
Molecular Mass: 129.15704
Monoisotopic Mass: 129.0789786
SMILES and InChIs

SMILES:
OC(=O)[C@@H]1CCCCN1
Canonical SMILES:
OC(=O)[C@@H]1CCCCN1
InChI:
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
InChIKey:
HXEACLLIILLPRG-YFKPBYRVSA-N

Cite this record

CBID:103484 http://www.chembase.cn/molecule-103484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-piperidine-2-carboxylic acid
IUPAC Traditional name
L-pipecolic acid
Synonyms
(S)-(-)-2-Piperidinecarboxylic acid
L-Pipecolic acid
(2S)-piperidine-2-carboxylic acid
(S)-Piperidine-2-carboxylic acid
L-2-Piperidinecarboxylic acid
L-Homoproline
L-PIPECOLIC ACID
(S)-(-)-Piperidine-2-carboxylic acid
H-Pip-OH
L-Pipecolinic acid
L-哌啶-2-甲酸
CAS Number
3105-95-1
EC Number
221-462-1
MDL Number
MFCD00005981
Beilstein Number
81093
Merck Index
147458
PubChem SID
162103004
24898330
PubChem CID
439227

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0631034  H Acceptors
H Donor LogD (pH = 5.5) -2.124041 
LogD (pH = 7.4) -2.1243129  Log P -2.1239622 
Molar Refractivity 32.6653 cm3 Polarizability 13.120767 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
272 °C(lit.) expand Show data source
ca 270°C dec. expand Show data source
Optical Rotation
[α]20/D -26±1°, c = 4% in H2O expand Show data source
[α]25/D -26.4°, c = 1 in H2O expand Show data source
-26 (c=1 in water) expand Show data source
Hydrophobicity(logP)
-1.854 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99% expand Show data source
≥99.0% (NT) expand Show data source
95% expand Show data source
99% expand Show data source
99% (titration) expand Show data source
Grade
puriss. expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H11NO2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02151898 external link
Crystalline
Purity: 99+%
Proline homolog
Sigma Aldrich - P2519 external link
Packaging
1 g in glass bottle
100, 250 mg in glass bottle
Biochem/physiol Actions
L-Pipecolic acid is a lysine metabolite; defect in its catabolism is involved in hyperpipecolic acidemia, cerebro-hepato-renal syndrome, neonatal onset adrenoleukodystrophy, and infantile Refsum disease.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. P2519.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Sigma Aldrich - 237752 external link
General description
Occurs in seeds, malt, edible mushrooms, fruits, etc.
Packaging
100 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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