4-(N-propylaminocarbonyl)phenylboronic acid
Product Information
Molecular Formula
C10H14BNO3
Molecular Weight
207.03
Description
4-(N-propylaminocarbonyl)phenylboronic acid selectively modulates enzymes and pathways involved in these diseases, including but not limited to cancer, diabetes, and arthritis.
Synonyms
4-(Propylcarbamoyl)phenyl)boronic acid; [4-(propylcarbamoyl)phenyl]boronic Acid; 4-(propylcarbamoyl)phenylboronic acid; 4-(N-PROPYLCARBAMOYL)BENZENEBORONIC ACID; N-PROPYL 4-BORONOBENZAMIDE; (4-(Propylcarbamoyl)phenyl)boronicacid; 4-(N-propylaminocarbonyl)phenylboronic acid; 1H-Imidazole-1,2-diamine,4-phenyl-N1-(phenylmethylene)-
IUPAC Name
[4-(propylcarbamoyl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)C(=O)NCCC)(O)O
InChI
InChI=1S/C10H14BNO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h3-6,14-15H,2,7H2,1H3,(H,12,13)
InChI Key
KWJCBWYHJKWCRD-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
207.1066735 g/mol
Monoisotopic Mass
207.1066735 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
203
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
