[[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate

C5H7F3N2O4 — CID 87557092

IUPAC[[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate
SMILESCONC(=O)CNOC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O4/c1-13-10-3(11)2-9-14-4(12)5(6,7)8/h9H,2H2,1H3,(H,10,11)
InChIKeyMPRMEDXJMLVWDE-UHFFFAOYSA-N
MW216.11 g/mol
LogP-0.73
Rot. Bonds4

About [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate

[[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate (PubChem CID 87557092) has the molecular formula C5H7F3N2O4 and a molecular weight of 216.11 g/mol. Its IUPAC name is [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate
PubChem CID87557092
Molecular FormulaC5H7F3N2O4
Molecular Weight216.11 g/mol
Exact Mass216.04
IUPAC Name[[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate
SMILESCONC(=O)CNOC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O4/c1-13-10-3(11)2-9-14-4(12)5(6,7)8/h9H,2H2,1H3,(H,10,11)
InChIKeyMPRMEDXJMLVWDE-UHFFFAOYSA-N
XLogP-0.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate?
The IUPAC name of [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate (CID 87557092) is [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate?
The canonical SMILES for [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate is CONC(=O)CNOC(=O)C(F)(F)F.
What is the InChIKey of [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate?
The InChIKey is MPRMEDXJMLVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O4/c1-13-10-3(11)2-9-14-4(12)5(6,7)8/h9H,2H2,1H3,(H,10,11).
What are the key properties of [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate?
[[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate has a molecular weight of 216.11 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(methoxyamino)-2-oxoethyl]amino] 2,2,2-trifluoroacetate is sourced from PubChem (CID 87557092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).