Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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DL-Pipecolic Acid

DL-Pipecolic Acid synonyms

Pipecolinic acid; Pipecolic acid; 2-Piperidinecarboxylic acid; L-Pipecolate


Graphical representations:

DL-Pipecolic acid image

View large 3D structure

Molecular Formula: C6 H11 N O2

Natural Isotopic Abundance Mass: 129.1570400000

Mono-Isotopic Molecular Masses:

  • C12N14: 129.078978603
  • C13N14: 135.099107629
  • C12N15: 130.076013496
  • C13N15: 136.0961425225

InChI String: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1

isomeric SMILES: C1CCN[C@@H](C1)C(=O)O

canonical SMILES: C1CCNC(C1)C(=O)O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
(2S)-piperidine-2-carboxylic acid

PubChem Substance (SID):   85165045   3698
PubChem Compound (CID):   439227
KEGG: Compound ID   C00408
CAS Registry IDs:   3105-95-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 30913

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,