chempirical

tert-Butyl 3-((methoxycarbonyl)methyl) azetidine-1-carboxylate

C11H19NO4CAS 497160-14-2229.28 g/mol

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CarbamateEster

Properties

Molecular formula
C11H19NO4
Molar mass
229.28 g/mol
Exact mass
229.1314 Da
logP
1.42Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
497160-14-2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC(=O)OC
InChIKey
OPTPWZDWKAOOPP-UHFFFAOYSA-N
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-8(7-12)5-9(13)15-4/h8H,5-7H2,1-4H3

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Names and synonyms

1 names
  • tert-Butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate

Work with tert-Butyl 3-((methoxycarbonyl)methyl) 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

tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate175213-46-474 % similar tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-870 % similar 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-464 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-663 % similar Methyl 4-[(1,1-dimethylethoxy)carbonyl]-2-piperazineacetate183742-33-862 % similar tert-Butyl 3-methoxyazetidine-1-carboxylate429669-07-861 % similar 1-Boc-azetidine-3-ylmethanol142253-56-359 % similar 1-Boc-3-(aminomethyl)azetidine325775-44-859 % similar

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

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine102308-32-7 (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7 L-Glutamic acid 5-cyclohexyl ester112471-82-6 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 Methyl cis-3-(boc-amino)C...142733-63-9 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4

Elsewhere

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