2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid

C13H20F2N2O3 — CID 66661299

IUPAC2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid
SMILESCC(F)(F)CC(NC(=O)N1CCC2(CC1)CC2)C(=O)O
InChIInChI=1S/C13H20F2N2O3/c1-12(14,15)8-9(10(18)19)16-11(20)17-6-4-13(2-3-13)5-7-17/h9H,2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyABGOSIQHFQHYCD-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.07
Rot. Bonds4

About 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid

2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid (PubChem CID 66661299) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid
PubChem CID66661299
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Name2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid
SMILESCC(F)(F)CC(NC(=O)N1CCC2(CC1)CC2)C(=O)O
InChIInChI=1S/C13H20F2N2O3/c1-12(14,15)8-9(10(18)19)16-11(20)17-6-4-13(2-3-13)5-7-17/h9H,2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyABGOSIQHFQHYCD-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid?
The IUPAC name of 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid (CID 66661299) is 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid.
What is the SMILES notation for 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid?
The canonical SMILES for 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid is CC(F)(F)CC(NC(=O)N1CCC2(CC1)CC2)C(=O)O.
What is the InChIKey of 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid?
The InChIKey is ABGOSIQHFQHYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3/c1-12(14,15)8-9(10(18)19)16-11(20)17-6-4-13(2-3-13)5-7-17/h9H,2-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid?
2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid has a molecular weight of 290.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octane-6-carbonylamino)-4,4-difluoropentanoic acid is sourced from PubChem (CID 66661299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).