2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid

C13H15NO2 — CID 84785315

IUPAC2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2CC3CC2C3)c1
InChIInChI=1S/C13H15NO2/c15-13(16)7-9-2-1-3-11(4-9)14-8-10-5-12(14)6-10/h1-4,10,12H,5-8H2,(H,15,16)
InChIKeyWAAGCRRMIJDUOP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.91
Rot. Bonds3

About 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid

2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid (PubChem CID 84785315) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid
PubChem CID84785315
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2CC3CC2C3)c1
InChIInChI=1S/C13H15NO2/c15-13(16)7-9-2-1-3-11(4-9)14-8-10-5-12(14)6-10/h1-4,10,12H,5-8H2,(H,15,16)
InChIKeyWAAGCRRMIJDUOP-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid (CID 84785315) is 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid is O=C(O)Cc1cccc(N2CC3CC2C3)c1.
What is the InChIKey of 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid?
The InChIKey is WAAGCRRMIJDUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)7-9-2-1-3-11(4-9)14-8-10-5-12(14)6-10/h1-4,10,12H,5-8H2,(H,15,16).
What are the key properties of 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid?
2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid has a molecular weight of 217.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 84785315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).