3-(N-Methylaminocarbonyl)benzeneboronic acid
Product Information
Molecular Formula
C8H10BNO3
Molecular Weight
178.98
Description
3-(N-Methylaminocarbonyl)benzeneboronic acid is a compound of paramount significance in the domain of biomedicine. It is profoundly employed in the realm of synthesizing pharmaceutical drugs and in conducting research endeavors encompassing multifarious diseases. This compound assumes a pivotal role in the amelioration of specific medical ailments and finds extensive application in biomedical research endeavors, particularly pertaining to the evolution of novel medicaments.
Synonyms
3-(N-Methylaminocarbonyl)phenylboronic acid; (3-(Methylcarbamoyl)phenyl)boronic acid; 3-(Methylcarbamoyl)benzeneboronic acid; 3-(methylcarbamoyl)phenylboronic acid; [3-(methylcarbamoyl)phenyl]boronic Acid; 3-(N-Methylaminocarbonyl)benzeneboronic acid; Boronic acid, [3-[(methylamino)carbonyl]phenyl]-; 3-(METHYLAMINOCARBONYL)BENZENEBORONIC ACID; 3-(methyl-carbamoyl)phenylboronic acid
IUPAC Name
[3-(methylcarbamoyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)C(=O)NC)(O)O
InChI
InChI=1S/C8H10BNO3/c1-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key
FYFFPNFUVMBPRZ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302 - H315 - H318 - H335
Precautionary Statement
P280 - P301 + P312 + P330 - P305 + P351 + P338 + P310
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
179.0753733 g/mol
Monoisotopic Mass
179.0753733 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
186
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-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021201036-A1 | Hydroxypyrrolidine derivative and medicinal application thereof | 2020-03-31 |
| US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| WO-2021088787-A1 | Quinazoline compound used as axl inhibitor | 2019-11-07 |
| US-2021115053-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-16 |
| WO-2021076728-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-16 |
| US-2021269454-A1 | Cycloalkane-1,3-diamine derivative | 2018-12-06 |
| US-11236106-B2 | Cycloalkane-1,3-diamine derivative | 2018-12-06 |
| EP-3885348-A1 | Novel tricyclic compound as irak4 inhibitor | 2018-11-21 |
