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

C9H15F3N2O4 — CID 79265881

IUPAC2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOCCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O4/c1-2-18-4-3-13-8(17)14(5-7(15)16)6-9(10,11)12/h2-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyGVFJHVBOLOZGPA-UHFFFAOYSA-N
MW272.22 g/mol
LogP0.68
Rot. Bonds7

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

2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265881) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265881
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCOCCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H15F3N2O4/c1-2-18-4-3-13-8(17)14(5-7(15)16)6-9(10,11)12/h2-6H2,1H3,(H,13,17)(H,15,16)
InChIKeyGVFJHVBOLOZGPA-UHFFFAOYSA-N
XLogP0.68
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
2-[(4-ethoxy-4-oxobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264664
2-[3-(ethylamino)propylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265962
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[2-(dimethylsulfamoyl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106341305
2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
CID 107481876
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[2,3-dimethylbutylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266291
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
2-[[2-(dimethylamino)-2-methylpropyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266284

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265881) is 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CCOCCNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GVFJHVBOLOZGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O4/c1-2-18-4-3-13-8(17)14(5-7(15)16)6-9(10,11)12/h2-6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 272.22 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).