3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid

C14H16FNO3 — CID 22128401

IUPAC3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCC1C(O)C(c1ccc(F)cc1)C2
InChIInChI=1S/C14H16FNO3/c15-9-3-1-8(2-4-9)11-7-10-5-6-12(13(11)17)16(10)14(18)19/h1-4,10-13,17H,5-7H2,(H,18,19)
InChIKeyDQCCWOSNPIOBET-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.18
Rot. Bonds1

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

3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid (PubChem CID 22128401) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
PubChem CID22128401
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
SMILESO=C(O)N1C2CCC1C(O)C(c1ccc(F)cc1)C2
InChIInChI=1S/C14H16FNO3/c15-9-3-1-8(2-4-9)11-7-10-5-6-12(13(11)17)16(10)14(18)19/h1-4,10-13,17H,5-7H2,(H,18,19)
InChIKeyDQCCWOSNPIOBET-UHFFFAOYSA-N
XLogP2.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid (CID 22128401) is 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid is O=C(O)N1C2CCC1C(O)C(c1ccc(F)cc1)C2.
What is the InChIKey of 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
The InChIKey is DQCCWOSNPIOBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-9-3-1-8(2-4-9)11-7-10-5-6-12(13(11)17)16(10)14(18)19/h1-4,10-13,17H,5-7H2,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid?
3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid is sourced from PubChem (CID 22128401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).