4-(isobutylaminocarbonyl)phenylboronic acid
Product Information
Molecular Formula
C11H16BNO3
Molecular Weight
221.06
Description
Potent as an inhibitor of proteasome activity, 4-(Isobutylaminocarbonyl)phenylboronic acid exhibits promising prospects in countering cancer and engendering targeted drug conveyance mechanisms.
Synonyms
[4-(2-methylpropylcarbamoyl)phenyl]boronic Acid; 4-(Isobutylaminocarbonyl)benzeneboronic acid; 4-(isobutylcarbamoyl)phenylboronic acid; Boronic acid, [4-[[(2-methylpropyl)amino]carbonyl]phenyl]-; {4-[(2-Methylpropyl)carbamoyl]phenyl}boronic acid; (4-(Isobutylcarbamoyl)phenyl)boronic acid; 4-(Isobutylaminocarbonyl)phenylboronic acid; 4-BORONO-N-ISOBUTYLBENZAMIDE; (4-(Isobutylcarbamoyl)phenyl)boronicacid; (4-{[(2-methylpropyl)amino]carbonyl}phenyl)boronic acid; 4-(isobutylaminocarbonyl)phenylboronic acid
IUPAC Name
[4-(2-methylpropylcarbamoyl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)C(=O)NCC(C)C)(O)O
InChI
InChI=1S/C11H16BNO3/c1-8(2)7-13-11(14)9-3-5-10(6-4-9)12(15)16/h3-6,8,15-16H,7H2,1-2H3,(H,13,14)
InChI Key
DUBSEAOPNSRHHN-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
221.1223235 g/mol
Monoisotopic Mass
221.1223235 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
225
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
