2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid

C7H10F3NO4 — CID 43354393

IUPAC2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C7H10F3NO4/c8-7(9,10)4-15-2-1-5(12)11-3-6(13)14/h1-4H2,(H,11,12)(H,13,14)
InChIKeyLCLTZZZEZCGCIY-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.16
Rot. Bonds6

About 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid

2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid (PubChem CID 43354393) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid
PubChem CID43354393
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCOCC(F)(F)F
InChIInChI=1S/C7H10F3NO4/c8-7(9,10)4-15-2-1-5(12)11-3-6(13)14/h1-4H2,(H,11,12)(H,13,14)
InChIKeyLCLTZZZEZCGCIY-UHFFFAOYSA-N
XLogP0.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]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-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid (CID 43354393) is 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid is O=C(O)CNC(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid?
The InChIKey is LCLTZZZEZCGCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c8-7(9,10)4-15-2-1-5(12)11-3-6(13)14/h1-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid?
2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid has a molecular weight of 229.15 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxy)propanoylamino]acetic acid is sourced from PubChem (CID 43354393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).