(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane

C₁₀H₁₈N₂O₂CAS 113451-59-5198.27 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₂
Molar mass: 198.27 g/mol
Exact mass: 198.1368 Da
logP: 0.97Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

113451-59-5

SMILES

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2

InChIKey

UXAWXZDXVOYLII-YUMQZZPRSA-N

InChI

InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1

Weigh it out

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

Work with (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane

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 (2R,5R)-5-(hydroxymethyl)-2-methyl-1-piperazinecarboxylate1403898-64-558 % similar 1,1-Dimethylethyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate198835-06-253 % similar 1,1-Dimethylethyl (2S)-2-(2-methylpropyl)-1-piperazinecarboxylate674792-06-452 % similar 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-051 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-849 % similar 1,1-Dimethylethyl (2R)-2-ethyl-1-piperazinecarboxylate393781-70-948 % similar Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-648 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-048 % similar

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

Same formula

1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-3

Elsewhere

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