2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid

C13H19F3N2O5 — CID 68761551

IUPAC2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid
SMILESO=C(O)CC(F)(F)F.O=C(O)CN1CC2(CCNCC2)CC1=O
InChIInChI=1S/C10H16N2O3.C3H3F3O2/c13-8-5-10(1-3-11-4-2-10)7-12(8)6-9(14)15;4-3(5,6)1-2(7)8/h11H,1-7H2,(H,14,15);1H2,(H,7,8)
InChIKeyFYNJSVIZTYZISK-UHFFFAOYSA-N
MW340.30 g/mol
LogP0.70
Rot. Bonds3

About 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid

2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid (PubChem CID 68761551) has the molecular formula C13H19F3N2O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid
PubChem CID68761551
Molecular FormulaC13H19F3N2O5
Molecular Weight340.30 g/mol
Exact Mass340.12
IUPAC Name2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid
SMILESO=C(O)CC(F)(F)F.O=C(O)CN1CC2(CCNCC2)CC1=O
InChIInChI=1S/C10H16N2O3.C3H3F3O2/c13-8-5-10(1-3-11-4-2-10)7-12(8)6-9(14)15;4-3(5,6)1-2(7)8/h11H,1-7H2,(H,14,15);1H2,(H,7,8)
InChIKeyFYNJSVIZTYZISK-UHFFFAOYSA-N
XLogP0.70
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid (CID 68761551) is 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid is O=C(O)CC(F)(F)F.O=C(O)CN1CC2(CCNCC2)CC1=O.
What is the InChIKey of 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid?
The InChIKey is FYNJSVIZTYZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3.C3H3F3O2/c13-8-5-10(1-3-11-4-2-10)7-12(8)6-9(14)15;4-3(5,6)1-2(7)8/h11H,1-7H2,(H,14,15);1H2,(H,7,8).
What are the key properties of 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid?
2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid has a molecular weight of 340.30 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetic acid;3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 68761551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).