methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate

C8H13F3N2O3 — CID 55028583

IUPACmethyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate
SMILESCOC(=O)CN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-13(4-7(15)16-2)3-6(14)12-5-8(9,10)11/h3-5H2,1-2H3,(H,12,14)
InChIKeyGJSJSVXGNVOJMM-UHFFFAOYSA-N
MW242.20 g/mol
LogP-0.23
Rot. Bonds5

About methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate

methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate (PubChem CID 55028583) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate
PubChem CID55028583
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Namemethyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate
SMILESCOC(=O)CN(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-13(4-7(15)16-2)3-6(14)12-5-8(9,10)11/h3-5H2,1-2H3,(H,12,14)
InChIKeyGJSJSVXGNVOJMM-UHFFFAOYSA-N
XLogP-0.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate (CID 55028583) is methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate is COC(=O)CN(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate?
The InChIKey is GJSJSVXGNVOJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-13(4-7(15)16-2)3-6(14)12-5-8(9,10)11/h3-5H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate?
methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate has a molecular weight of 242.20 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetate is sourced from PubChem (CID 55028583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).