chempirical

1,1-Dimethylethyl N-(2-boronophenyl)carbamate

C11H16BNO4CAS 115377-94-1237.06 g/mol

Open in Covalent MOL file
OOHNBOHHO
Boronic acid

Properties

Molecular formula
C11H16BNO4
Molar mass
237.06 g/mol
Exact mass
237.1172 Da
logP
0.73Crippen estimate
Polar surface area
82.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
115377-94-1
SMILES
CC(C)(C)OC(O)=Nc1ccccc1B(O)O
InChIKey
RMEIKYSECODAHJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-7-5-4-6-8(9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Carbamic acid, N-(2-boronophenyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (2-boronophenyl)-, C-(1,1-dimethylethyl) ester
  • N-(tert-Butoxycarbonyl)-2-amino-1-phenylboronic acid
  • [2-[(tert-Butoxycarbonyl)amino]phenyl]boronic acid

Work with 1,1-Dimethylethyl N-(2-boronophenyl)carbamate

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 N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate1072944-99-046 % similar 1,1-Dimethylethyl N-3-furanylcarbamate56267-48-243 % similar 1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate116026-95-042 % similar 1,1-Dimethylethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate102089-74-742 % similar 1,2-Bis(1,1-dimethylethyl) 1,2-hydrazinedicarboxylate16466-61-842 % similar 1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate937046-96-341 % similar 1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate155836-48-940 % similar Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-γ-phenyl-, (S)-190190-50-240 % similar

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

Elsewhere

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