tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate

C₉H₁₅NO₃CAS 114214-49-2185.22 g/mol

Open in Covalent MOL file

Carbamate Epoxide Ether

Properties

Molecular formula: C₉H₁₅NO₃
Molar mass: 185.22 g/mol
Exact mass: 185.1052 Da
logP: 1.00Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

114214-49-2

SMILES

CC(C)(C)OC(=O)N1CC2C(C1)O2

InChIKey

NXZIGGBPLGAPTI-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(11)10-4-6-7(5-10)12-6/h6-7H,4-5H2,1-3H3

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Names and synonyms

1 names

3-Boc-6-oxa-3-aza-bicyclo[3.1.0]hexane

Work with tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-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

1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-967 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-066 % similar 1-N-Boc-3-hydroxyazetidine141699-55-066 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-666 % similar 1-Boc-3-(amino)azetidine193269-78-266 % similar tert-Butyl 3-iodoazetidine-1-carboxylate254454-54-166 % similar tert-Butyl 3-methoxyazetidine-1-carboxylate429669-07-864 % similar tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-662 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-7 tert-Butyl 3-oxocyclobutylcarbamate154748-49-9 tert-Butyl 3-formylazetidine-1-carboxylate177947-96-5 tert-Butyl (2R)-5-oxopyrrolidine-2-carboxylate205524-46-5 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-7 Ethyl 2-acetyl-3-(dimethylamino)acrylate51145-57-4 (S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone77877-19-1 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-6

Elsewhere

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