α-Oxo-1-piperazineacetic acid

C₆H₁₀N₂O₃CAS 691394-09-9158.16 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Secondary amine

Properties

Molecular formula: C₆H₁₀N₂O₃
Molar mass: 158.16 g/mol
Exact mass: 158.0691 Da
logP: -1.50Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

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

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Identifiers

CAS number

691394-09-9

SMILES

O=C(O)C(=O)N1CCNCC1

InChIKey

OOLCKTWCPKNNOG-UHFFFAOYSA-N

InChI

InChI=1S/C6H10N2O3/c9-5(6(10)11)8-3-1-7-2-4-8/h7H,1-4H2,(H,10,11)

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Names and synonyms

1 names

1-Piperazineacetic acid, α-oxo-

Work with α-Oxo-1-piperazineacetic 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

Similar compounds

1-Acetylpiperazine13889-98-043 % similar 2-(Piperazin-1-yl)-acetic acid H2O37478-58-341 % similar Piperazine-1-carboxylic acid dimethylamide41340-78-741 % similar N,N-Diethyl-1-piperazinecarboxamide119-54-039 % similar 3-Piperazin-1-yl-propionic acid27245-31-439 % similar Methyl piperazine-1-carboxylate50606-31-039 % similar 2-Methyl-1-(piperazin-1-yl)propan-1-one71260-16-739 % similar Morpholin-4-yl-piperazin-1-yl-methanone98834-08-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Hydroxymethyl)-5,5-dimethylhydantoin116-25-6 Oxiracetam62613-82-5

Elsewhere

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