chempirical

(S)-Piperazine-2-carboxylic acid

C5H10N2O2CAS 147650-70-2130.15 g/mol

Open in Covalent MOL file
OHONHHN
Carboxylic acidSecondary amine

Properties

Molecular formula
C5H10N2O2
Molar mass
130.15 g/mol
Exact mass
130.0742 Da
logP
-1.37Crippen estimate
Polar surface area
61.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
147650-70-2
SMILES
O=C(O)[C@@H]1CNCCN1
InChIKey
JSSXHAMIXJGYCS-BYPYZUCNSA-N
InChI
InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1

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

Names and synonyms

7 names
  • 2-Piperazinecarboxylic acid, (2S)-
  • 2-Piperazinecarboxylic acid, (S)-
  • (2S)-2-Piperazinecarboxylic acid
  • 2(S)-Piperazine-2-carboxylic acid
  • (2S)-Piperazine-2-carboxylic acid
  • (2S)-Piperazin-4-ium-2-carboxylate
  • (S)-(-)Piperazine-2-carboxylic acid

Work with (S)-Piperazine-2-carboxylic 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.

(R)-Piperazine-2-carboxylic acid31321-68-3Enantiomer (R)-2-Piperazinecarboxylic acid dihydrochloride126330-90-3Salt, enantiomer (2S)-Piperazine-2-carboxylic acid dihydrochloride158663-69-5Salt Piperazine-2-carboxylic acid dihydrochloride3022-15-9Salt, stereo not defined

Similar compounds

Azetidine-2-carboxylic acid2133-34-859 % similar (±)-2-Azetidinecarboxylic acid2517-04-659 % similar D-Azetidine-2-carboxylic acid7729-30-859 % similar Ethylenediamine-N,N'-disuccinic acid20846-91-757 % similar Proline147-85-355 % similar D-Proline344-25-255 % similar DL-Proline609-36-955 % similar (+)-Pipecolic acid1723-00-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-2-Acetamidopropanamide15962-47-7 2,4-Pentanedione oxime2157-56-4 1-(2-Hydroxyethyl)-2-imidazolidinone3699-54-5

Elsewhere

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