2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid

C8H9F3N2O6 — CID 141299462

IUPAC2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid
SMILESCC(NC(=O)C(=O)O)NC(=O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O6/c1-3(12-4(14)6(16)17)13-5(15)7(18)19-2-8(9,10)11/h3H,2H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyJGWAJCPXEOJDBT-UHFFFAOYSA-N
MW286.16 g/mol
LogP-1.25
Rot. Bonds3

About 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid

2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid (PubChem CID 141299462) has the molecular formula C8H9F3N2O6 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid
PubChem CID141299462
Molecular FormulaC8H9F3N2O6
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid
SMILESCC(NC(=O)C(=O)O)NC(=O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O6/c1-3(12-4(14)6(16)17)13-5(15)7(18)19-2-8(9,10)11/h3H,2H2,1H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyJGWAJCPXEOJDBT-UHFFFAOYSA-N
XLogP-1.25
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethylene-bis-oxamic acid trifluoroethyl ester
CID 86672882
ethyl 2-[[(2R)-2-fluoro-1-(methylamino)propyl]amino]-2-oxoacetate
CID 169847069
2-[2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 55008818
Ethyl 2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetate
CID 60970480
2-[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethoxy]acetic acid
CID 61328889
2-[2-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61329833
2-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 61492672
2-[2-Oxo-2-[[propyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
CID 61606799
2-[2-Oxo-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 63826737
2-[Propyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 63832654
2-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 63833357
2-[Methyl-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 63834068

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid (CID 141299462) is 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid is CC(NC(=O)C(=O)O)NC(=O)C(=O)OCC(F)(F)F.
What is the InChIKey of 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid?
The InChIKey is JGWAJCPXEOJDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O6/c1-3(12-4(14)6(16)17)13-5(15)7(18)19-2-8(9,10)11/h3H,2H2,1H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid?
2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid has a molecular weight of 286.16 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[1-[[2-oxo-2-(2,2,2-trifluoroethoxy)acetyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 141299462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).