2-(3,3,3-trifluoropropanoylamino)oxyacetic acid

C5H6F3NO4 — CID 63914916

IUPAC2-(3,3,3-trifluoropropanoylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO4/c6-5(7,8)1-3(10)9-13-2-4(11)12/h1-2H2,(H,9,10)(H,11,12)
InChIKeyKTOQZGYDTXUNAN-UHFFFAOYSA-N
MW201.10 g/mol
LogP0.07
Rot. Bonds4

About 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid

2-(3,3,3-trifluoropropanoylamino)oxyacetic acid (PubChem CID 63914916) has the molecular formula C5H6F3NO4 and a molecular weight of 201.10 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropanoylamino)oxyacetic acid
PubChem CID63914916
Molecular FormulaC5H6F3NO4
Molecular Weight201.10 g/mol
Exact Mass201.02
IUPAC Name2-(3,3,3-trifluoropropanoylamino)oxyacetic acid
SMILESO=C(O)CONC(=O)CC(F)(F)F
InChIInChI=1S/C5H6F3NO4/c6-5(7,8)1-3(10)9-13-2-4(11)12/h1-2H2,(H,9,10)(H,11,12)
InChIKeyKTOQZGYDTXUNAN-UHFFFAOYSA-N
XLogP0.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid?
The IUPAC name of 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid (CID 63914916) is 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid is O=C(O)CONC(=O)CC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid?
The InChIKey is KTOQZGYDTXUNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO4/c6-5(7,8)1-3(10)9-13-2-4(11)12/h1-2H2,(H,9,10)(H,11,12).
What are the key properties of 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid?
2-(3,3,3-trifluoropropanoylamino)oxyacetic acid has a molecular weight of 201.10 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropanoylamino)oxyacetic acid is sourced from PubChem (CID 63914916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).