(2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

C15H18FNO2 — CID 11959456

IUPAC(2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
SMILESCN1C2CCC1[C@@H](C(=O)O)[C@@H](c1ccc(F)cc1)C2
InChIInChI=1S/C15H18FNO2/c1-17-11-6-7-13(17)14(15(18)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,18,19)/t11?,12-,13?,14+/m1/s1
InChIKeyUAVJURKSCUOSRS-HHTDUIENSA-N
MW263.31 g/mol
LogP2.48
Rot. Bonds2

About (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

(2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid (PubChem CID 11959456) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
PubChem CID11959456
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
SMILESCN1C2CCC1[C@@H](C(=O)O)[C@@H](c1ccc(F)cc1)C2
InChIInChI=1S/C15H18FNO2/c1-17-11-6-7-13(17)14(15(18)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,18,19)/t11?,12-,13?,14+/m1/s1
InChIKeyUAVJURKSCUOSRS-HHTDUIENSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic 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 (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid?
The IUPAC name of (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid (CID 11959456) is (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid?
The canonical SMILES for (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid is CN1C2CCC1[C@@H](C(=O)O)[C@@H](c1ccc(F)cc1)C2.
What is the InChIKey of (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid?
The InChIKey is UAVJURKSCUOSRS-HHTDUIENSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-17-11-6-7-13(17)14(15(18)19)12(8-11)9-2-4-10(16)5-3-9/h2-5,11-14H,6-8H2,1H3,(H,18,19)/t11?,12-,13?,14+/m1/s1.
What are the key properties of (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid?
(2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid is sourced from PubChem (CID 11959456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).