chempirical

tert-Butyl 3-methoxyazetidine-1-carboxylate

C9H17NO3CAS 429669-07-8187.24 g/mol

Open in Covalent MOL file
OONO
CarbamateEther

Properties

Molecular formula
C9H17NO3
Molar mass
187.24 g/mol
Exact mass
187.1208 Da
logP
1.25Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
429669-07-8
SMILES
CC(C)(C)OC(=O)N1CC(C1)OC
InChIKey
ZENIBVFXWKRVMK-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)10-5-7(6-10)12-4/h7H,5-6H2,1-4H3

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Names and synonyms

1 names
  • 1-Boc-3-(methoxy)azetidine

Work with tert-Butyl 3-methoxyazetidine-1-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-N-Boc-3-hydroxyazetidine141699-55-067 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-264 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-062 % similar (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-662 % similar 1-Boc-3-(amino)azetidine193269-78-262 % similar tert-Butyl 3-iodoazetidine-1-carboxylate254454-54-162 % similar 1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)azetidine141699-58-361 % similar tert-Butyl 3-((methoxycarbonyl)methyl) azetidine-1-carboxylate497160-14-261 % similar

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

Same formula

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-5 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-9 tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-2 tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-0 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-9 1-Boc-azetidine-3-ylmethanol142253-56-3 tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-9 tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-8

Elsewhere

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