3-(Pyrrolidine-1-carbonyl)phenylboronic acid
Product Information
Molecular Formula
C11H14BNO3
Molecular Weight
219.04
Description
3-(Pyrrolidine-1-carbonyl)phenylboronic acid, a pivotal compound extensively employed in the biomedical sector, exhibits prodigious potential for disease-focused drug production. Its distinctive molecular structure lends itself to the creation of pioneering boron-based pharmaceuticals, primarily targeting cancerous afflictions and inflammatory anomalies.
Synonyms
[3-(pyrrolidine-1-carbonyl)phenyl]boronic Acid; 3-(Pyrrolidin-1-ylcarbonyl)benzeneboronic acid; (3-pyrrolidinylcarbonylphenyl)boronic acid; 3-pyrrolidinylcarbonyl phenyl boronic acid; 3-(pyrrolidin-1-ylcarbonyl)phenylboronic acid; 3-(1-PYRROLIDINYLCARBONYL)BENZENEBORONIC ACID; 3-(pyrrolidine-1-carbonyl)phenylboronic acid; 3-(Pyrrolidin-1-ylcarbonyl)benzeneboronic acid; 3-(Pyrrolidin-1-ylcarbonyl)benzeneboronic acid; (3-boronophenyl)(pyrrolidin-1-yl)methanone
IUPAC Name
[3-(pyrrolidine-1-carbonyl)phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)C(=O)N2CCCC2)(O)O
InChI
InChI=1S/C11H14BNO3/c14-11(13-6-1-2-7-13)9-4-3-5-10(8-9)12(15)16/h3-5,8,15-16H,1-2,6-7H2
InChI Key
SXTMJRKRWYTPLI-UHFFFAOYAB
Flash Point
Not applicable
Purity
98%
Safety Information
Hazards
H318
Precautionary Statement
P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
219.1066735 g/mol
Monoisotopic Mass
219.1066735 g/mol
Topological Polar Surface Area
60.8Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
254
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
