2-Oxa-6-azaspiro[3.3]heptane hemioxalate

C₁₂H₂₀N₂O₆CAS 1045709-32-7288.30 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Secondary amine

Properties

Molecular formula: C₁₂H₂₀N₂O₆
Molar mass: 288.30 g/mol
Exact mass: 288.1321 Da
logP: -1.63Crippen estimate
Polar surface area: 117.1 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 0

Identifiers

CAS number

1045709-32-7

SMILES

C1C2(CN1)COC2.C1C2(CN1)COC2.C(=O)(C(=O)O)O

InChIKey

RXBYDYSXIHJXNO-UHFFFAOYSA-N

InChI

InChI=1S/2C5H9NO.C2H2O4/c2*1-5(2-6-1)3-7-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6)

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Names and synonyms

1 names

2-Oxa-6-azaspiro(3.3)heptane hemioxalate

Work with 2-Oxa-6-azaspiro[3.3]heptane hemioxalate

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

2-Oxa-6-azaspiro[3,3]heptane oxalic acid salt1159599-99-1100 % similar tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate1041026-71-446 % similar Ammonium oxalate1113-38-835 % similar Ethanedioic acid hydrate (1:2)6153-56-635 % similar Dipentaerythritol126-58-932 % similar Hydroxylammonium oxalate4682-08-032 % similar α-Oxo-1-piperazineacetic acid691394-09-931 % similar Ammonium oxalate monohydrate6009-70-731 % similar

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

Elsewhere

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