(2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid

C7H10F3NO4 — CID 104875681

IUPAC(2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid
SMILESC[C@@H](OCC(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO4/c1-4(6(13)14)15-2-5(12)11-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-/m1/s1
InChIKeyQGBFUIVWEHCOEN-SCSAIBSYSA-N
MW229.15 g/mol
LogP0.15
Rot. Bonds5

About (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid

(2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid (PubChem CID 104875681) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid
PubChem CID104875681
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name(2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid
SMILESC[C@@H](OCC(=O)NCC(F)(F)F)C(=O)O
InChIInChI=1S/C7H10F3NO4/c1-4(6(13)14)15-2-5(12)11-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-/m1/s1
InChIKeyQGBFUIVWEHCOEN-SCSAIBSYSA-N
XLogP0.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid (CID 104875681) is (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid is C[C@@H](OCC(=O)NCC(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid?
The InChIKey is QGBFUIVWEHCOEN-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c1-4(6(13)14)15-2-5(12)11-3-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-/m1/s1.
What are the key properties of (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid?
(2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid has a molecular weight of 229.15 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethoxy]propanoic acid is sourced from PubChem (CID 104875681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).