2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

C8H12F3NO5 — CID 54969095

IUPAC2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO5/c1-16-3-2-12(4-6(13)14)7(15)17-5-8(9,10)11/h2-5H2,1H3,(H,13,14)
InChIKeyGJQXWKCQJGPALD-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.72
Rot. Bonds6

About 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid

2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (PubChem CID 54969095) has the molecular formula C8H12F3NO5 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
PubChem CID54969095
Molecular FormulaC8H12F3NO5
Molecular Weight259.18 g/mol
Exact Mass259.07
IUPAC Name2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H12F3NO5/c1-16-3-2-12(4-6(13)14)7(15)17-5-8(9,10)11/h2-5H2,1H3,(H,13,14)
InChIKeyGJQXWKCQJGPALD-UHFFFAOYSA-N
XLogP0.72
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((Tert-butoxycarbonyl)(2,2,2-trifluoroethyl)amino)acetic acid
CID 54593256
Glycine, N-acetyl-N-(trifluoroacetyl)-, methyl ester
CID 537572
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 44190410
ethyl 2-(2,2,2-trifluoro-N-methylacetamido)acetate
CID 54595828
Methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 55028746
2-[(2-Methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 18683900
2-[(2-Ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 22089272
Methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 59882299
Carboxy-ethyl-(2-methoxyethyl)-(2,2,2-trifluoroethyl)azanium
CID 124102619
Carboxymethyl-dimethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]azanium
CID 130266543
2-[(2-Methylpropan-2-yl)oxycarbonyl-(1,2,2-trifluoroethyl)amino]acetic acid
CID 134229601
2-[Dimethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]azaniumyl]acetate
CID 140799651

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid (CID 54969095) is 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)OCC(F)(F)F.
What is the InChIKey of 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
The InChIKey is GJQXWKCQJGPALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO5/c1-16-3-2-12(4-6(13)14)7(15)17-5-8(9,10)11/h2-5H2,1H3,(H,13,14).
What are the key properties of 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid?
2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid has a molecular weight of 259.18 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(2,2,2-trifluoroethoxycarbonyl)amino]acetic acid is sourced from PubChem (CID 54969095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).