N-Boc-2-pyrroleboronic acid

C₉H₁₄BNO₄CAS 135884-31-0211.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₄BNO₄
Molar mass: 211.02 g/mol
Exact mass: 211.1016 Da
logP: -0.05Crippen estimate
Polar surface area: 71.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

135884-31-0

SMILES

B(C1=CC=CN1C(=O)OC(C)(C)C)(O)O

InChIKey

ZWGMJLNXIVRFRJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H14BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h4-6,13-14H,1-3H3

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Names and synonyms

1 names

1-(tert-Butoxycarbonyl)-2-pyrroleboronic Acid

Work with N-Boc-2-pyrroleboronic acid

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-(tert-Butoxycarbonyl)indole-2-boronic Acid (contains varying amounts of Anhydride)213318-44-655 % similar 1-Boc-6-chloroindole-2-boronic acid352359-22-948 % similar 1-(1,1-Dimethylethyl) 2-borono-5-fluoro-1H-indole-1-carboxylate352359-23-048 % similar 1-(tert-Butoxycarbonyl)-5-methoxy-1H-indol-2-ylboronic acid290331-71-447 % similar 1-(1,1-Dimethylethyl) 2-borono-5-cyano-1H-indole-1-carboxylate475102-15-945 % similar N-Boc-5-hydroxyindole434958-85-745 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-045 % similar (4-((tert-Butoxycarbonyl)oxy)phenyl)boronicacid380430-70-643 % similar

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

Elsewhere

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