3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid

C12H20F2N2O2 — CID 146586508

IUPAC3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CC2(CCNCC2(F)F)C1)C(=O)O
InChIInChI=1S/C12H20F2N2O2/c1-10(2,9(17)18)6-16-7-11(8-16)3-4-15-5-12(11,13)14/h15H,3-8H2,1-2H3,(H,17,18)
InChIKeyWVKTXLAECGOZPL-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.03
Rot. Bonds3

About 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid

3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid (PubChem CID 146586508) has the molecular formula C12H20F2N2O2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid
PubChem CID146586508
Molecular FormulaC12H20F2N2O2
Molecular Weight262.30 g/mol
Exact Mass262.15
IUPAC Name3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(CN1CC2(CCNCC2(F)F)C1)C(=O)O
InChIInChI=1S/C12H20F2N2O2/c1-10(2,9(17)18)6-16-7-11(8-16)3-4-15-5-12(11,13)14/h15H,3-8H2,1-2H3,(H,17,18)
InChIKeyWVKTXLAECGOZPL-UHFFFAOYSA-N
XLogP1.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid (CID 146586508) is 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid is CC(C)(CN1CC2(CCNCC2(F)F)C1)C(=O)O.
What is the InChIKey of 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid?
The InChIKey is WVKTXLAECGOZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O2/c1-10(2,9(17)18)6-16-7-11(8-16)3-4-15-5-12(11,13)14/h15H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid?
3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid has a molecular weight of 262.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 146586508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).