N-Boc-hexahydro-5-oxocyclopenta[C]pyrrole

C12H19NO3CAS 148404-28-8225.29 g/mol

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OONO
CarbamateKetone

Properties

Molecular formula
C12H19NO3
Molar mass
225.29 g/mol
Exact mass
225.1365 Da
logP
1.83Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 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
148404-28-8
SMILES
CC(C)(C)OC(=O)N1CC2CC(=O)CC2C1
InChIKey
GGNDIMLSSMWKDR-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-10(14)5-9(8)7-13/h8-9H,4-7H2,1-3H3

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Names and synonyms

1 names
  • tert-Butyl 5-oxohexahydrocyclopenta(c)pyrrole-2(1H)-carboxylate

Work with N-Boc-hexahydro-5-oxocyclopenta[C]pyrrole

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

cis-tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate146231-54-1Defined stereoisomer

Similar compounds

tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-666 % similar cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-166 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-262 % similar 3-Oxo-azetidine-1-carboxylic acid tert-butyl ester398489-26-461 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-060 % similar 1-N-Boc-3-hydroxyazetidine141699-55-060 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-660 % similar 1-Boc-3-(amino)azetidine193269-78-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-nortropinone185099-67-6 tert-Butyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate203661-71-6 Terbutaline23031-25-6

Elsewhere

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