1-(tert-Butoxycarbonyl)indole-2-boronic Acid (contains varying amounts of Anhydride)

C₁₃H₁₆BNO₄CAS 213318-44-6261.08 g/mol

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Properties

Molecular formula: C₁₃H₁₆BNO₄
Molar mass: 261.08 g/mol
Exact mass: 261.1172 Da
logP: 1.10Crippen estimate
Polar surface area: 71.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

213318-44-6

SMILES

B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O

InChIKey

SVIBPSNFXYUOFT-UHFFFAOYSA-N

InChI

InChI=1S/C13H16BNO4/c1-13(2,3)19-12(16)15-10-7-5-4-6-9(10)8-11(15)14(17)18/h4-8,17-18H,1-3H3

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Names and synonyms

1 names

N-Boc-indole-2-boronic acid

Work with 1-(tert-Butoxycarbonyl)indole-2-boronic Acid (contains varying amounts of Anhydride)

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-Boc-6-chloroindole-2-boronic acid352359-22-971 % similar 1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate352359-23-071 % similar 1-(1,1-Dimethylethyl) 2-borono-5-cyano-1H-indole-1-carboxylate475102-15-970 % similar 1-(tert-Butoxycarbonyl)-5-methoxy-1H-indol-2-ylboronic acid290331-71-469 % similar N-Boc-2-pyrroleboronic acid135884-31-055 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-046 % similar N-Boc-5-hydroxyindole434958-85-743 % similar 1,1-Dimethylethyl 5-amino-1H-indole-1-carboxylate166104-20-741 % similar

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

Elsewhere

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