2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid

C4H4F3NO3 — CID 43444971

IUPAC2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C4H4F3NO3/c5-4(6,7)1-8-2(9)3(10)11/h1H2,(H,8,9)(H,10,11)
InChIKeyXOLOJRHEZRSINZ-UHFFFAOYSA-N
MW171.07 g/mol
LogP-0.25
Rot. Bonds1

About 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid

2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid (PubChem CID 43444971) has the molecular formula C4H4F3NO3 and a molecular weight of 171.07 g/mol. Its IUPAC name is 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid
PubChem CID43444971
Molecular FormulaC4H4F3NO3
Molecular Weight171.07 g/mol
Exact Mass171.01
IUPAC Name2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid
SMILESO=C(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C4H4F3NO3/c5-4(6,7)1-8-2(9)3(10)11/h1H2,(H,8,9)(H,10,11)
InChIKeyXOLOJRHEZRSINZ-UHFFFAOYSA-N
XLogP-0.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.07
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid?
The IUPAC name of 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid (CID 43444971) is 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid is O=C(O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid?
The InChIKey is XOLOJRHEZRSINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO3/c5-4(6,7)1-8-2(9)3(10)11/h1H2,(H,8,9)(H,10,11).
What are the key properties of 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid?
2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid has a molecular weight of 171.07 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid is sourced from PubChem (CID 43444971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).