2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid

C11H13F3N2O4 — CID 64759005

IUPAC2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)NC2(CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)6-2-1-3-10(4-6)8(19)16(5-7(17)18)9(20)15-10/h6H,1-5H2,(H,15,20)(H,17,18)
InChIKeyOZHDTVHCLOFCON-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.11
Rot. Bonds2

About 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid

2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid (PubChem CID 64759005) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
PubChem CID64759005
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
SMILESO=C(O)CN1C(=O)NC2(CCCC(C(F)(F)F)C2)C1=O
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)6-2-1-3-10(4-6)8(19)16(5-7(17)18)9(20)15-10/h6H,1-5H2,(H,15,20)(H,17,18)
InChIKeyOZHDTVHCLOFCON-UHFFFAOYSA-N
XLogP1.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid?
The IUPAC name of 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid (CID 64759005) is 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid.
What is the SMILES notation for 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid?
The canonical SMILES for 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid is O=C(O)CN1C(=O)NC2(CCCC(C(F)(F)F)C2)C1=O.
What is the InChIKey of 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid?
The InChIKey is OZHDTVHCLOFCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)6-2-1-3-10(4-6)8(19)16(5-7(17)18)9(20)15-10/h6H,1-5H2,(H,15,20)(H,17,18).
What are the key properties of 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid?
2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid has a molecular weight of 294.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-3-yl]acetic acid is sourced from PubChem (CID 64759005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).