[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid

C23H24BNO2 — CID 102481746

IUPAC[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid
SMILESOB(O)c1ccccc1CN1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C23H24BNO2/c26-24(27)21-14-8-7-13-20(21)17-25-22(18-9-3-1-4-10-18)15-16-23(25)19-11-5-2-6-12-19/h1-14,22-23,26-27H,15-17H2/t22-,23-/m1/s1
InChIKeyXRVJLBUJYBZRRY-DHIUTWEWSA-N
MW357.26 g/mol
LogP3.44
Rot. Bonds5

About [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid

[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid (PubChem CID 102481746) has the molecular formula C23H24BNO2 and a molecular weight of 357.26 g/mol. Its IUPAC name is [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid
PubChem CID102481746
Molecular FormulaC23H24BNO2
Molecular Weight357.26 g/mol
Exact Mass357.19
IUPAC Name[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid
SMILESOB(O)c1ccccc1CN1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C23H24BNO2/c26-24(27)21-14-8-7-13-20(21)17-25-22(18-9-3-1-4-10-18)15-16-23(25)19-11-5-2-6-12-19/h1-14,22-23,26-27H,15-17H2/t22-,23-/m1/s1
InChIKeyXRVJLBUJYBZRRY-DHIUTWEWSA-N
XLogP3.44
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
[2-(azetidin-1-ylmethyl)phenyl]boronic acid
CID 175402198
[2-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]boronic acid
CID 71150761
N-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]-N-methylaniline
CID 123872639
CID 157492366
CID 157492366
(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
[2-(benzamidomethyl)phenyl]boronic acid
CID 10244067
2-tert-butyl-1-ethyl-5-phenylpyrrolidine
CID 70876764
1-methyl-2-phenylazetidine
CID 576373
[2-(aminomethyl)phenyl]boronic acid;hydrochloride
CID 46738919
[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970678
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid?
The IUPAC name of [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid (CID 102481746) is [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid.
What is the SMILES notation for [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid?
The canonical SMILES for [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid is OB(O)c1ccccc1CN1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.
What is the InChIKey of [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid?
The InChIKey is XRVJLBUJYBZRRY-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H24BNO2/c26-24(27)21-14-8-7-13-20(21)17-25-22(18-9-3-1-4-10-18)15-16-23(25)19-11-5-2-6-12-19/h1-14,22-23,26-27H,15-17H2/t22-,23-/m1/s1.
What are the key properties of [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid?
[2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid has a molecular weight of 357.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methyl]phenyl]boronic acid is sourced from PubChem (CID 102481746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).