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

C₉H₁₇NO₅SCAS 141699-58-3251.30 g/mol

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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

Hazards

Danger

H301 Toxic if swallowed75% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 tert-Butyl 3-methoxyazetidine-1-carboxylate429669-07-861 % 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 1-N-Boc-3-hydroxyazetidine141699-55-054 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-654 % similar 1-Boc-3-(amino)azetidine193269-78-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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