2-(Pivalamido)phenylboronic Acid

C₁₁H₁₆BNO₃CAS 146140-95-6221.06 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₁₁H₁₆BNO₃
Molar mass: 221.06 g/mol
Exact mass: 221.1223 Da
logP: 0.35Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Identifiers

CAS number

146140-95-6

SMILES

B(C1=CC=CC=C1NC(=O)C(C)(C)C)(O)O

InChIKey

MXRAJVMTCAUABO-UHFFFAOYSA-N

InChI

InChI=1S/C11H16BNO3/c1-11(2,3)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

1 names

2-(tert-Butylcarbonylamino)phenylboronic acid

Work with 2-(Pivalamido)phenylboronic 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

B-[2-[(Methylsulfonyl)amino]phenyl]boronic acid756520-78-245 % similar 2-Acetylphenylboronic acid308103-40-441 % similar 1-Methyl 2-boronobenzoate374538-03-139 % similar N-(3-Iodopyridin-2-yl)-2,2-dimethylpropanamide113975-31-838 % similar 2-Methylphenylboronic acid16419-60-637 % similar 1-Ethyl 2-boronobenzoate380430-53-536 % similar 1,1-Dimethylethyl N-(2-boronophenyl)carbamate115377-94-135 % similar 2-Methoxymethylphenylboronic acid126617-98-935 % similar

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

Same formula

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-ol1054483-78-1

Elsewhere

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