1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate

C10H17NO3CAS 870089-49-9199.25 g/mol

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Properties

Molecular formula
C10H17NO3
Molar mass
199.25 g/mol
Exact mass
199.1208 Da
logP
1.44Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
870089-49-9
SMILES
CC(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIKey
KRFZYPWUCOYOML-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO3/c1-7(12)8-5-11(6-8)9(13)14-10(2,3)4/h8H,5-6H2,1-4H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Azetidinecarboxylic acid, 3-acetyl-, 1,1-dimethylethyl ester
  • tert-Butyl 3-acetylazetidine-1-carboxylate
  • 3-Acetyl-azetidine-1-carboxylic acid tert-butyl ester
  • 1-Boc-3-acetyl-azetidine

Work with 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate

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

3-Acetyl-piperidine-1-carboxylic acid tert-butyl ester858643-92-275 % similar 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester206989-61-971 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-267 % similar 1-Boc-Azetidine-3-carboxylic acid142253-55-264 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-462 % similar tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-661 % similar cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-161 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (R)-3-formylpyrrolidine-1-carboxylate191347-94-1 (S)-tert-Butyl 3-formylpyrrolidine-1-carboxylate191348-04-6 (+-)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxaldehyde59379-02-1 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-9 N-(tert-Butoxycarbonyl)-D-prolinal73365-02-3 tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-3 tert-Butyl 2-oxopiperidine-1-carboxylate85908-96-9 1-Boc-3-piperidone98977-36-7

Elsewhere

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