3-(Cyclopropylaminocarbonyl)phenylboronic acid

C₁₀H₁₂BNO₃CAS 850567-23-6205.02 g/mol

Open in Covalent MOL file

Amide Boronic acid

Properties

Molecular formula: C₁₀H₁₂BNO₃
Molar mass: 205.02 g/mol
Exact mass: 205.0910 Da
logP: -0.74Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

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

850567-23-6

SMILES

B(C1=CC(=CC=C1)C(=O)NC2CC2)(O)O

InChIKey

ACYLEYDBPWXTIO-UHFFFAOYSA-N

InChI

InChI=1S/C10H12BNO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9,14-15H,4-5H2,(H,12,13)

Weigh it out

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Work with 3-(Cyclopropylaminocarbonyl)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-(Methylcarbamoyl)benzeneboronic acid832695-88-264 % similar 3-(N-Benzylaminocarbonyl)phenylboronic acid625470-96-463 % similar 3-Carboxyphenylboronic acid25487-66-553 % similar 3-(Pyrrolidine-1-carbonyl)phenylboronic acid723281-53-652 % similar 3-Acetylphenylboronic acid204841-19-051 % similar 3-(Dimethylcarbamoyl)phenylboronic acid373384-14-651 % similar 3-(N,N-Diethylaminocarbonyl)phenylboronic acid237413-05-751 % similar 1-(Phenylmethyl) 3-boronobenzoate380430-52-449 % similar

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

Same formula

3-Methacrylamidophenylboronic acid48150-45-4

Elsewhere

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