Pipecolic acid

C6H11NO2CAS 3105-95-1129.16 g/mol

Open in Covalent MOL file
OHOHN
Carboxylic acidSecondary amine

Properties

Molecular formula
C6H11NO2
Molar mass
129.16 g/mol
Exact mass
129.0790 Da
Melting point
268 °C (decomposes)
logP
0.21Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3105-95-1
SMILES
O=C(O)[C@@H]1CCCCN1
InChIKey
HXEACLLIILLPRG-YFKPBYRVSA-N
InChI
InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all
  • Pipecolic acid, (-)-
  • 2-Piperidinecarboxylic acid, (2S)-
  • Pipecolic acid, (S)-(-)-
  • 2-Piperidinecarboxylic acid, (S)-
  • (2S)-2-Piperidinecarboxylic acid
  • (S)-(-)-2-Piperidinecarboxylic acid
  • L-Pipecolic acid
  • L-(-)-Pipecolic acid
  • L-Piperidine-2-carboxylic acid
  • (S)-Piperidine-2-carboxylic acid
  • (S)-(-)-Pipecolic acid
  • (S)-Pipecolinic acid
  • (S)-Pipecolic acid
  • L-Homoproline
  • L-Pipecolinic acid
  • (-)-Pipecolic acid
  • NSC 93089
  • (-)-Pipecolinic acid
  • (2S)-Piperidine-2-carboxylic acid
  • (2S)-Piperidin-1-ium-2-carboxylate
  • 2-Piperidinecarboxylic acid (2S)-

Work with Pipecolic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Pipecolic acid1723-00-8Enantiomer Pipecolic acid535-75-1Stereo not defined Pipecolic acid4043-87-2Stereo not defined

Similar compounds

Proline147-85-388 % similar D-Proline344-25-288 % similar DL-Proline609-36-988 % similar Azetidine-2-carboxylic acid2133-34-872 % similar (±)-2-Azetidinecarboxylic acid2517-04-672 % similar D-Azetidine-2-carboxylic acid7729-30-872 % similar (S)-Piperazine-2-carboxylic acid147650-70-253 % similar Pipecolamide19889-77-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Cyclopropylalanine102735-53-5 D-Cyclopropylalanine121786-39-8 4,4-Dimethoxybutanenitrile14618-78-1 N-Acetylmorpholine1696-20-4 (4S)-(-)-4-Isopropyl-2-oxazolidinone17016-83-0 Dimethylacetoacetamide2044-64-6 (-)-Nipecotic acid25137-00-2

Elsewhere

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