3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid

C11H16F3NO3 — CID 80996119

IUPAC3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid
SMILESO=C(O)C(CN1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)9(10(17)18)5-15-6-1-2-7(15)4-8(16)3-6/h6-9,16H,1-5H2,(H,17,18)
InChIKeyCEXDBDBZUYYJQO-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.24
Rot. Bonds3

About 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid

3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid (PubChem CID 80996119) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid
PubChem CID80996119
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid
SMILESO=C(O)C(CN1C2CCC1CC(O)C2)C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)9(10(17)18)5-15-6-1-2-7(15)4-8(16)3-6/h6-9,16H,1-5H2,(H,17,18)
InChIKeyCEXDBDBZUYYJQO-UHFFFAOYSA-N
XLogP1.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic 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 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid (CID 80996119) is 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid is O=C(O)C(CN1C2CCC1CC(O)C2)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid?
The InChIKey is CEXDBDBZUYYJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)9(10(17)18)5-15-6-1-2-7(15)4-8(16)3-6/h6-9,16H,1-5H2,(H,17,18).
What are the key properties of 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid?
3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid has a molecular weight of 267.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]propanoic acid is sourced from PubChem (CID 80996119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).