3-Methacrylamidophenylboronic acid

C10H12BNO3CAS 48150-45-4205.02 g/mol

Open in Covalent MOL file
OHNBHOOH
AlkeneBoronic acid

Properties

Molecular formula
C10H12BNO3
Molar mass
205.02 g/mol
Exact mass
205.0910 Da
logP
0.53Crippen estimate
Polar surface area
73.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
48150-45-4
SMILES
C=C(C)C(O)=Nc1cccc(B(O)O)c1
InChIKey
GBBUBIKYAQLESK-UHFFFAOYSA-N
InChI
InChI=1S/C10H12BNO3/c1-7(2)10(13)12-9-5-3-4-8(6-9)11(14)15/h3-6,14-15H,1H2,2H3,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Boronic acid, B-[3-[(2-methyl-1-oxo-2-propen-1-yl)amino]phenyl]-
  • Boronic acid, [3-[(2-methyl-1-oxo-2-propenyl)amino]phenyl]-
  • B-[3-[(2-Methyl-1-oxo-2-propen-1-yl)amino]phenyl]boronic acid
  • [3-(2-Methylprop-2-enamido)phenyl]boronic acid

Work with 3-Methacrylamidophenylboronic 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

1,3-Benzenediboronic acid4612-28-643 % similar N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylacrylamide90357-53-242 % similar 3-Acetylphenylboronic acid204841-19-041 % similar 3-Methylphenylboronic acid17933-03-840 % similar 3-Carboxyphenylboronic acid25487-66-539 % similar (3-Carbamoylphenyl)boronic acid351422-73-639 % similar 3-Acetamidophenylboronic acid78887-39-538 % similar 3-Chlorophenylboronic acid63503-60-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Cyclopropylaminocarbonyl)phenylboronic acid850567-23-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook