ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate

C11H19F3N2O3 — CID 61226063

IUPACethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CC(=O)NCC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N2O3/c1-4-19-10(18)6-16(8(2)3)5-9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)
InChIKeyJZGVWBHXAHWEOP-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.94
Rot. Bonds7

About ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate

ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate (PubChem CID 61226063) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate
PubChem CID61226063
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Nameethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CC(=O)NCC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N2O3/c1-4-19-10(18)6-16(8(2)3)5-9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17)
InChIKeyJZGVWBHXAHWEOP-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate (CID 61226063) is ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate is CCOC(=O)CN(CC(=O)NCC(F)(F)F)C(C)C.
What is the InChIKey of ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate?
The InChIKey is JZGVWBHXAHWEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-4-19-10(18)6-16(8(2)3)5-9(17)15-7-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,17).
What are the key properties of ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate?
ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate has a molecular weight of 284.28 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 61226063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).