3-(Cyclopropylaminocarbonyl)phenylboronic acid
Product Information
Molecular Formula
C10H12BNO3
Molecular Weight
205.02
Description
3-(cyclopropylaminocarbonyl)phenylboronic acid can selectively target disease-related enzymes or receptors, thereby facilitating drug development for cancer, diabetes, and inflammatory diseases.
Synonyms
(3-(Cyclopropylcarbamoyl)phenyl)boronic acid; [3-(cyclopropylcarbamoyl)phenyl]boronic Acid; 3-(CYCLOPROPYLCARBAMOYL)BENZENEBORONIC ACID; 3-(cyclopropylcarbamoyl)phenylboronic acid; 3-(Cyclopropylaminocarbonyl)benzeneboronic acid; (3-(Cyclopropylcarbamoyl)phenyl)boronicacid; 3-(cyclopropylcarbamoyl)phenyl boronic acid; 3-(cyclopropylaminocarbonyl)phenylboronic acid
IUPAC Name
[3-(cyclopropylcarbamoyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)C(=O)NC2CC2)(O)O
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)
InChI Key
ACYLEYDBPWXTIO-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
97%
Appearance
White to light yellow crystal powde
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
205.0910234 g/mol
Monoisotopic Mass
205.0910234 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
243
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2019173507-A1 | Antibacterial agents : arylalkylcarboxamido phloroglucinols | 2018-03-06 |
| US-2021017126-A1 | Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols | 2018-03-06 |
| DE-102017005091-A1 | Substituted 3,4-dihydropyrido [2,3-b] pyrazine-2 (1H) -one | 2016-05-30 |
| US-2017174688-A1 | Substituted Indoles | 2014-12-18 |
| US-2017349589-A9 | Substituted Indoles | 2014-12-18 |
| US-9932340-B2 | Substituted indoles | 2014-12-18 |
| WO-2016089977-A1 | Substituted indazole compounds, compositions thereof, and methods of treatment therewith | 2014-12-03 |
| EP-2817304-A1 | Novel compounds and their use in therapy | 2011-07-14 |
| US-2014135322-A1 | Novel compounds and their use in therapy | 2011-07-14 |
| US-9359311-B2 | Substituted aromatic oligomers | 2011-07-14 |
