(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate

C10H11F3N2O6 — CID 101202817

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate
SMILESO=C(CCCNOC(=O)C(F)(F)F)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11F3N2O6/c11-10(12,13)9(19)20-14-5-1-2-8(18)21-15-6(16)3-4-7(15)17/h14H,1-5H2
InChIKeyJYUBKNILIAJKPO-UHFFFAOYSA-N
MW312.20 g/mol
LogP-0.02
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate (PubChem CID 101202817) has the molecular formula C10H11F3N2O6 and a molecular weight of 312.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate
PubChem CID101202817
Molecular FormulaC10H11F3N2O6
Molecular Weight312.20 g/mol
Exact Mass312.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate
SMILESO=C(CCCNOC(=O)C(F)(F)F)ON1C(=O)CCC1=O
InChIInChI=1S/C10H11F3N2O6/c11-10(12,13)9(19)20-14-5-1-2-8(18)21-15-6(16)3-4-7(15)17/h14H,1-5H2
InChIKeyJYUBKNILIAJKPO-UHFFFAOYSA-N
XLogP-0.02
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate (CID 101202817) is (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate is O=C(CCCNOC(=O)C(F)(F)F)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate?
The InChIKey is JYUBKNILIAJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O6/c11-10(12,13)9(19)20-14-5-1-2-8(18)21-15-6(16)3-4-7(15)17/h14H,1-5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate has a molecular weight of 312.20 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[(2,2,2-trifluoroacetyl)oxyamino]butanoate is sourced from PubChem (CID 101202817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).