(4-(Pyrrolidine-1-carbonyl)phenyl)boronic acid

C₁₁H₁₄BNO₃CAS 389621-81-2219.05 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₁₁H₁₄BNO₃
Molar mass: 219.05 g/mol
Exact mass: 219.1067 Da
logP: -0.40Crippen estimate
Polar surface area: 60.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

389621-81-2

SMILES

B(C1=CC=C(C=C1)C(=O)N2CCCC2)(O)O

InChIKey

VKPBESPVHGDDJS-UHFFFAOYSA-N

InChI

InChI=1S/C11H14BNO3/c14-11(13-7-1-2-8-13)9-3-5-10(6-4-9)12(15)16/h3-6,15-16H,1-2,7-8H2

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Names and synonyms

1 names

4-(Pyrrolidine-1-carbonyl)phenylboronic acid

Work with (4-(Pyrrolidine-1-carbonyl)phenyl)boronic 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-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid389621-83-497 % similar (4-(Morpholine-4-carbonyl)phenyl)boronic acid389621-84-576 % similar 4-(Diethylcarbamoyl)phenylboronic Acid389621-80-169 % similar 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid405520-68-560 % similar Benzoylpiperidine776-75-056 % similar 4-Carbamoylphenylboronic acid123088-59-549 % similar 4-Carboxyphenylboronic acid14047-29-149 % similar (4-Benzyloxycarbonylphenyl)boronic acid184000-11-148 % similar

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

Elsewhere

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