1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)azetidine

C₉H₁₇NO₅SCAS 141699-58-3251.30 g/mol

Open in Covalent MOL file

Carbamate Sulfonate ester

Properties

Molecular formula: C₉H₁₇NO₅S
Molar mass: 251.30 g/mol
Exact mass: 251.0827 Da
logP: 0.58Crippen estimate
Polar surface area: 72.9 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Identifiers

CAS number

141699-58-3

SMILES

CC(C)(C)OC(=O)N1CC(C1)OS(=O)(=O)C

InChIKey

XXBDTKYKFFIAEY-UHFFFAOYSA-N

InChI

InChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-5-7(6-10)15-16(4,12)13/h7H,5-6H2,1-4H3

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Names and synonyms

1 names

tert-Butyl 3-(methanesulfonyloxy)azetidine-1-carboxylate

Work with 1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)azetidine

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

4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester141699-59-474 % similar (2S,4R)-tert-Butyl 2-(hydroxymethyl)-4-(methylsulfonyloxy)pyrrolidine-1-carboxylate148017-07-660 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-255 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-054 % similar Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-651 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-051 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-951 % similar 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-050 % similar

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

Elsewhere

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