tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate

C₂₂H₃₈N₄O₈CAS 1041026-71-4486.57 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Secondary amine

Properties

Molecular formula: C₂₂H₃₈N₄O₈
Molar mass: 486.57 g/mol
Exact mass: 486.2690 Da
logP: 0.81Crippen estimate
Polar surface area: 157.7 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 0

Identifiers

CAS number

1041026-71-4

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CNC2.CC(C)(C)OC(=O)N1CC2(C1)CNC2.C(=O)(C(=O)O)O

InChIKey

PYRAMVPOMDHTNX-UHFFFAOYSA-N

InChI

InChI=1S/2C10H18N2O2.C2H2O4/c2*1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10;3-1(4)2(5)6/h2*11H,4-7H2,1-3H3;(H,3,4)(H,5,6)

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Names and synonyms

1 names

tert-Butyl 2,6-Diazaspiro(3.3)heptane-2-carboxylate Hemioxalate

Work with tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate 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

1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-382 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-956 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-555 % similar tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-855 % similar 1,1-Dimethylethyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate1234616-51-353 % similar 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-953 % similar tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-251 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-850 % similar

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

Elsewhere

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