2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid

C8H9F3N2O6 — CID 86672882

IUPAC2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid
SMILESO=C(O)C(=O)NCCNC(=O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O6/c9-8(10,11)3-19-7(18)5(15)13-2-1-12-4(14)6(16)17/h1-3H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyCKHNYOPFBQSHPP-UHFFFAOYSA-N
MW286.16 g/mol
LogP-1.59
Rot. Bonds4

About 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid

2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid (PubChem CID 86672882) has the molecular formula C8H9F3N2O6 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid
PubChem CID86672882
Molecular FormulaC8H9F3N2O6
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid
SMILESO=C(O)C(=O)NCCNC(=O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O6/c9-8(10,11)3-19-7(18)5(15)13-2-1-12-4(14)6(16)17/h1-3H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyCKHNYOPFBQSHPP-UHFFFAOYSA-N
XLogP-1.59
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid (CID 86672882) is 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid is O=C(O)C(=O)NCCNC(=O)C(=O)OCC(F)(F)F.
What is the InChIKey of 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid?
The InChIKey is CKHNYOPFBQSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O6/c9-8(10,11)3-19-7(18)5(15)13-2-1-12-4(14)6(16)17/h1-3H2,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid?
2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid has a molecular weight of 286.16 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[2-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 86672882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).