chempirical

1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate

C10H18N2O2CAS 1041026-70-3198.27 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C10H18N2O2
Molar mass
198.27 g/mol
Exact mass
198.1368 Da
logP
0.83Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
1041026-70-3
SMILES
CC(C)(C)OC(=O)N1CC2(CNC2)C1
InChIKey
KVOUHLVOTMOJBS-UHFFFAOYSA-N
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-6-10(7-12)4-11-5-10/h11H,4-7H2,1-3H3

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Names and synonyms

4 names
  • 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid, 1,1-dimethylethyl ester
  • 2,6-Diazaspiro[3.3]heptane-2-carboxylic acid tert-butyl ester
  • tert-Butyl2,6-diazaspiro[3.3]heptan-2-carboxylate
  • tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate

Work with 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate

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

tert-Butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate hemioxalate1041026-71-482 % similar tert-Butyl 2,7-diazaspiro(3.5)nonane-7-carboxylate hydrochloride1023301-84-965 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-565 % similar tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-859 % similar tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-259 % similar 1,1-Dimethylethyl 3,3-difluoro-1-azetidinecarboxylate1255666-59-159 % similar N-Boc-piperazine57260-71-659 % similar tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-857 % similar

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

Same formula

(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane113451-59-5 tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride134003-84-2

Elsewhere

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