ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate

C8H11F3N2O4 — CID 23278170

IUPACethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O4/c1-2-17-6(15)4-12-5(14)3-13-7(16)8(9,10)11/h2-4H2,1H3,(H,12,14)(H,13,16)
InChIKeyLFZDTDKOTGYLMB-UHFFFAOYSA-N
MW256.18 g/mol
LogP-0.66
Rot. Bonds5

About ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate

ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate (PubChem CID 23278170) has the molecular formula C8H11F3N2O4 and a molecular weight of 256.18 g/mol. Its IUPAC name is ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate
PubChem CID23278170
Molecular FormulaC8H11F3N2O4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Nameethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O4/c1-2-17-6(15)4-12-5(14)3-13-7(16)8(9,10)11/h2-4H2,1H3,(H,12,14)(H,13,16)
InChIKeyLFZDTDKOTGYLMB-UHFFFAOYSA-N
XLogP-0.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate (CID 23278170) is ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate?
The InChIKey is LFZDTDKOTGYLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O4/c1-2-17-6(15)4-12-5(14)3-13-7(16)8(9,10)11/h2-4H2,1H3,(H,12,14)(H,13,16).
What are the key properties of ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate?
ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate has a molecular weight of 256.18 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 23278170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).