3-(Pyrrolidine-1-carbonyl)phenylboronic acid

C₁₁H₁₄BNO₃CAS 723281-53-6219.05 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

723281-53-6

SMILES

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

InChIKey

SXTMJRKRWYTPLI-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-(Pyrrolidine-1-carbonyl)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

3-(N,N-Diethylaminocarbonyl)phenylboronic acid237413-05-772 % similar B-[4-(1-Piperidinylcarbonyl)phenyl]boronic acid389621-83-466 % similar 3-(Dimethylcarbamoyl)phenylboronic acid373384-14-664 % similar Benzoylpiperidine776-75-054 % similar 3-Carboxyphenylboronic acid25487-66-554 % similar 1-(Phenylmethyl) 3-boronobenzoate380430-52-453 % similar 3-Acetylphenylboronic acid204841-19-053 % similar (4-(Morpholine-4-carbonyl)phenyl)boronic acid389621-84-552 % similar

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

Same formula

(4-(Pyrrolidine-1-carbonyl)phenyl)boronic acid389621-81-2

Elsewhere

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