(R)-2-Piperazinecarboxylic acid dihydrochloride

C₅H₁₂Cl₂N₂O₂CAS 126330-90-3203.06 g/mol

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Carboxylic acid Secondary amine

Properties

Molecular formula: C₅H₁₂Cl₂N₂O₂
Molar mass: 203.06 g/mol
Exact mass: 202.0276 Da
Melting point: 238–243 °C (decomposes)
logP: -0.52Crippen estimate
Polar surface area: 61.4 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

126330-90-3

SMILES

Cl.Cl.O=C(O)[C@H]1CNCCN1

InChIKey

WNSDZBQLMGKPQS-RZFWHQLPSA-N

InChI

InChI=1S/C5H10N2O2.2ClH/c8-5(9)4-3-6-1-2-7-4;;/h4,6-7H,1-3H2,(H,8,9);2*1H/t4-;;/m1../s1

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

Names and synonyms

4 names

2-Piperazinecarboxylic acid, hydrochloride (1:2), (2R)-
2-Piperazinecarboxylic acid, dihydrochloride, (R)-
2-Piperazinecarboxylic acid, dihydrochloride, (2R)-
(2R)-Piperazine-2-carboxylic acid dihydrochloride

Work with (R)-2-Piperazinecarboxylic acid dihydrochloride

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

Similar compounds

(S)-Piperazine-2-carboxylic acid147650-70-288 % similar Azetidine-2-carboxylic acid2133-34-853 % similar (±)-2-Azetidinecarboxylic acid2517-04-653 % similar Edds20846-91-752 % similar Proline147-85-350 % similar D-Proline344-25-250 % similar Dl-proline609-36-950 % similar (+)-Pipecolic acid1723-00-848 % similar

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

Elsewhere

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