2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid

C11H16F3NO5 — CID 154844937

IUPAC2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CC1CCC2(CNC2)CO1
InChIInChI=1S/C9H15NO3.C2HF3O2/c11-8(12)3-7-1-2-9(6-13-7)4-10-5-9;3-2(4,5)1(6)7/h7,10H,1-6H2,(H,11,12);(H,6,7)
InChIKeyAAFSFBSRGUMLQH-UHFFFAOYSA-N
MW299.25 g/mol
LogP0.86
Rot. Bonds2

About 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid

2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 154844937) has the molecular formula C11H16F3NO5 and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID154844937
Molecular FormulaC11H16F3NO5
Molecular Weight299.25 g/mol
Exact Mass299.10
IUPAC Name2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CC1CCC2(CNC2)CO1
InChIInChI=1S/C9H15NO3.C2HF3O2/c11-8(12)3-7-1-2-9(6-13-7)4-10-5-9;3-2(4,5)1(6)7/h7,10H,1-6H2,(H,11,12);(H,6,7)
InChIKeyAAFSFBSRGUMLQH-UHFFFAOYSA-N
XLogP0.86
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic 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-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid (CID 154844937) is 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CC1CCC2(CNC2)CO1.
What is the InChIKey of 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is AAFSFBSRGUMLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.C2HF3O2/c11-8(12)3-7-1-2-9(6-13-7)4-10-5-9;3-2(4,5)1(6)7/h7,10H,1-6H2,(H,11,12);(H,6,7).
What are the key properties of 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid?
2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 299.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxa-2-azaspiro[3.5]nonan-7-yl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154844937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).