tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C12H21NO3CAS 143557-91-9227.30 g/mol

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OONOH
AlcoholCarbamate

Properties

Molecular formula
C12H21NO3
Molar mass
227.30 g/mol
Exact mass
227.1521 Da
logP
1.91Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 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
143557-91-9
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)O
InChIKey
SEGZJJSZYOEABC-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3

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Names and synonyms

1 names
  • tert-Butyl 3-hydroxy-8-azabicyclo(3.2.1)octane-8-carboxylate

Work with tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-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

rac-tert-Butyl (1R,3S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate207405-68-372 % similar N-Boc-exo-3-aminotropane744183-20-872 % similar tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-864 % similar N-Boc-nortropinone185099-67-662 % similar 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester869494-16-659 % similar (1R,3S,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo(2.2.1)heptane-3-carboxylic acid291775-59-258 % similar tert-Butyl 4-hydroxypiperidine-1-carboxylate109384-19-258 % similar 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-8 rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-6 1-Boc-4-formyl-4-methyl-piperidine189442-92-0 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester206989-61-9 7-Boc-2-oxa-7-azaspiro[3.5]nonane240401-27-8 1-(tert-Butoxycarbonyl)-3,3-dimethyl-4-oxopiperidine324769-06-4 tert-Butyl 2,2-dimethyl-4-oxopiperidine-1-carboxylate346593-03-1 tert-Butyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-5

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