Home > Compound List > Compound details
3105-95-1 molecular structure
click picture or here to close

(2R)-piperidine-2-carboxylic acid

ChemBase ID: 69513
Molecular Formular: C6H11NO2
Molecular Mass: 129.15704
Monoisotopic Mass: 129.0789786
SMILES and InChIs

SMILES:
N1[C@H](CCCC1)C(=O)O
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-/m1/s1
InChIKey:
HXEACLLIILLPRG-RXMQYKEDSA-N

Cite this record

CBID:69513 http://www.chembase.cn/molecule-69513.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-piperidine-2-carboxylic acid
IUPAC Traditional name
D-pipecolic acid
(+)-pipecolic acid
Synonyms
(R)-(+)-2-Piperidinecarboxylic acid
(R)-Piperidine-2-carboxylic acid
D-Homoproline
D-Pipecolinic acid
(2R)-piperidine-2-carboxylic acid
(R)-(+)-Piperidine-2-carboxylic Acid
(S)-(-)-2-Piperidinecarboxylic Acid
(S)-(-)-Pipecolic Acid
(-)-Pipecolic Acid
(S)-Piperidine-2-carboxylic Acid
L-Pipecolic Acid
L-Pipecolinic Acid
L-Piperidine-2-carboxylic Acid
NSC 93089
L-Pipecolic Acid
(R)-Piperidine-2-carboxylic acid
D-PIPECOLIC ACID
D-Pipecolinic acid
D-Pipecolic acid
(R)-(+)-2-哌啶甲酸
(R)-哌啶-2-羧酸
D-高脯氨酸
D-哌啶酸
D-哌可酸
D-哌啶甲酸
CAS Number
3105-95-1
1723-00-8
EC Number
217-024-4
MDL Number
MFCD00064346
Beilstein Number
81094
PubChem SID
24856260
162035239
PubChem CID
736316

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)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
White Crystalline Powder expand Show data source
Melting Point
~280 °C (dec.) expand Show data source
238-254°C expand Show data source
277 °C (dec.)(lit.) expand Show data source
280°C (dec) expand Show data source
Optical Rotation
[α]20/D +27±1°, c = 1% in H2O expand Show data source
[α]25/D +27°, c = 1 in H2O expand Show data source
Hydrophobicity(logP)
-1.854 expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
IRRITANT 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
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.0% (NT) expand Show data source
95% expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C6H11NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 268062 external link
Packaging
100 mg in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 268062.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Toronto Research Chemicals - P479750 external link
Pipecolic acid is involved in synaptic transmission in the central nervous system. The l-form occurs in plants.
Toronto Research Chemicals - P479751 external link
Pipecolic acid is involved in synaptic transmission in the central nervous system.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Nomura Y., et al.: Neurochem. Res., 6, 391 (1981)
  • • Nomura Y., et al.: Neurochem. Res., 6, 391 (1981)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle