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
Canonical 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

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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