chempirical

tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate

C12H21NO4CAS 158602-35-8243.30 g/mol

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OONOO
CarbamateEster

Properties

Molecular formula
C12H21NO4
Molar mass
243.30 g/mol
Exact mass
243.1471 Da
logP
1.81Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
158602-35-8
SMILES
CCOC(=O)CC1CN(C1)C(=O)OC(C)(C)C
InChIKey
HTYZZXUWPRCEIN-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO4/c1-5-16-10(14)6-9-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3

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Names and synonyms

1 names
  • 1-Boc-3-azetidineacetic acid ethyl ester

Work with tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-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

Ethyl 1-[(1,1-dimethylethoxy)carbonyl]-4-piperidineacetate135716-09-576 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-660 % similar 1-(1,1-Dimethylethyl) 3-ethyl 1,3-pyrrolidinedicarboxylate170844-49-257 % similar Ethyl 1-boc-3-piperidinecarboxylate130250-54-355 % similar 1,1-Dimethylethyl 3-(2-aminoethyl)-1-azetidinecarboxylate898271-20-053 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-253 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-052 % similar 1,1-Dimethylethyl 3-acetyl-1-azetidinecarboxylate870089-49-952 % similar

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

Same formula

1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-2 Boc-L-cyclopentylglycine109183-72-4 1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid115951-16-1 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-1 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-5 Methyl N-boc-piperidine-3-carboxylate148763-41-1 [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-5 1-tert-Butyl 2-methyl piperidine-1,2-dicarboxylate167423-93-0

Elsewhere

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