3-(Cyclopropylaminocarbonyl)phenylboronic acid

C10H12BNO3CAS 850567-23-6205.02 g/mol

Open in Covalent MOL file
BONHHOHO
AmideBoronic 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 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3-(Benzyloxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)380430-52-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methacrylamidophenylboronic acid48150-45-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook