(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate

C10H11F3N2O5 — CID 129213637

IUPAC(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC1CC(=O)N(OC(=O)C(C)NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C10H11F3N2O5/c1-4-3-6(16)15(7(4)17)20-8(18)5(2)14-9(19)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,19)
InChIKeyOXLLSYJLUBPJSJ-UHFFFAOYSA-N
MW296.20 g/mol
LogP-0.09
Rot. Bonds3

About (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate

(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 129213637) has the molecular formula C10H11F3N2O5 and a molecular weight of 296.20 g/mol. Its IUPAC name is (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID129213637
Molecular FormulaC10H11F3N2O5
Molecular Weight296.20 g/mol
Exact Mass296.06
IUPAC Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC1CC(=O)N(OC(=O)C(C)NC(=O)C(F)(F)F)C1=O
InChIInChI=1S/C10H11F3N2O5/c1-4-3-6(16)15(7(4)17)20-8(18)5(2)14-9(19)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,19)
InChIKeyOXLLSYJLUBPJSJ-UHFFFAOYSA-N
XLogP-0.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 129213637) is (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate is CC1CC(=O)N(OC(=O)C(C)NC(=O)C(F)(F)F)C1=O.
What is the InChIKey of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is OXLLSYJLUBPJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O5/c1-4-3-6(16)15(7(4)17)20-8(18)5(2)14-9(19)10(11,12)13/h4-5H,3H2,1-2H3,(H,14,19).
What are the key properties of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate?
(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 296.20 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 129213637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).