methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate

C7H11F3N2O3 — CID 115605714

IUPACmethyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-12(3-5(13)15-2)6(14)11-4-7(8,9)10/h3-4H2,1-2H3,(H,11,14)
InChIKeyHSYKEVLOPYGPNY-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.36
Rot. Bonds3

About methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate

methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate (PubChem CID 115605714) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
PubChem CID115605714
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Namemethyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-12(3-5(13)15-2)6(14)11-4-7(8,9)10/h3-4H2,1-2H3,(H,11,14)
InChIKeyHSYKEVLOPYGPNY-UHFFFAOYSA-N
XLogP0.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The IUPAC name of methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate (CID 115605714) is methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate is COC(=O)CN(C)C(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The InChIKey is HSYKEVLOPYGPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-12(3-5(13)15-2)6(14)11-4-7(8,9)10/h3-4H2,1-2H3,(H,11,14).
What are the key properties of methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate has a molecular weight of 228.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate is sourced from PubChem (CID 115605714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).