2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid

C8H10F3NO5 — CID 22089272

IUPAC2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCCOC(=O)CN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO5/c1-2-17-6(15)4-12(3-5(13)14)7(16)8(9,10)11/h2-4H2,1H3,(H,13,14)
InChIKeyDXQULJKMKSKTHS-UHFFFAOYSA-N
MW257.16 g/mol
LogP0.03
Rot. Bonds5

About 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid

2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 22089272) has the molecular formula C8H10F3NO5 and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID22089272
Molecular FormulaC8H10F3NO5
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCCOC(=O)CN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO5/c1-2-17-6(15)4-12(3-5(13)14)7(16)8(9,10)11/h2-4H2,1H3,(H,13,14)
InChIKeyDXQULJKMKSKTHS-UHFFFAOYSA-N
XLogP0.03
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 22089272) is 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid is CCOC(=O)CN(CC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is DXQULJKMKSKTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO5/c1-2-17-6(15)4-12(3-5(13)14)7(16)8(9,10)11/h2-4H2,1H3,(H,13,14).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 257.16 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 22089272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).