5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester

C₁₀H₁₈N₂O₃CAS 190900-21-1214.26 g/mol

Open in Covalent MOL file

Amide Carbamate Lactam

Properties

Molecular formula: C₁₀H₁₈N₂O₃
Molar mass: 214.26 g/mol
Exact mass: 214.1317 Da
logP: 0.74Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

190900-21-1

SMILES

CC(C)(C)OC(=O)N1CCC(=O)NCC1

InChIKey

GLJYPTWEXBUATJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)

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Names and synonyms

1 names

1-N-Boc-5-oxo-1,4-diazepane

Work with 5-Oxo-(1,4)diazepane-1-carboxylic acid tert-butyl ester

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

N-Boc-piperazine57260-71-666 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-361 % similar tert-Butyl 1,4-diazepane-1-carboxylate112275-50-059 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-957 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-856 % similar 1,1-Dimethylethyl 3-methylene-1-pyrrolidinecarboxylate114214-71-055 % similar 1-Boc-piperazine acetate143238-38-453 % similar N-Boc-N,N-bis(2-chloroethyl)amine118753-70-153 % similar

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

Same formula

tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-8 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-3 Desthiobiotin533-48-2

Elsewhere

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