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

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 Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-662 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-062 % similar 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-060 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-260 % similar tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-558 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-458 % 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 5-Oxo-L-proline 1,1-dimethylethyl ester35418-16-7 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate85909-08-6

Elsewhere

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