2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C7H10F3NO4 — CID 79261024

IUPAC2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO4/c1-15-3-5(12)11(2-6(13)14)4-7(8,9)10/h2-4H2,1H3,(H,13,14)
InChIKeyQTSXDQPGNQGZRT-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.11
Rot. Bonds5

About 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79261024) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79261024
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOCC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H10F3NO4/c1-15-3-5(12)11(2-6(13)14)4-7(8,9)10/h2-4H2,1H3,(H,13,14)
InChIKeyQTSXDQPGNQGZRT-UHFFFAOYSA-N
XLogP0.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60779660
2-[bis(2-methoxyethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263711
2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258213
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[[2-(3-methylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265254
2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265053
2-[3-acetamidopropanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258622
2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
2-[pent-4-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260507
2-[(2-methoxyacetyl)-methylamino]acetic acid
CID 16777253

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79261024) is 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is COCC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QTSXDQPGNQGZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c1-15-3-5(12)11(2-6(13)14)4-7(8,9)10/h2-4H2,1H3,(H,13,14).
What are the key properties of 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 229.15 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79261024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).