2-aminooxy-N-deuterioacetamide

C2H6N2O2 — CID 59920372

IUPAC2-aminooxy-N-deuterioacetamide
SMILES[2H]NC(=O)CON
InChIInChI=1S/C2H6N2O2/c3-2(5)1-6-4/h1,4H2,(H2,3,5)/i/hD
InChIKeyVTRGCUISDBTZIB-DYCDLGHISA-N
MW91.09 g/mol
LogP-1.64
Rot. Bonds2

About 2-aminooxy-N-deuterioacetamide

2-aminooxy-N-deuterioacetamide (PubChem CID 59920372) has the molecular formula C2H6N2O2 and a molecular weight of 91.09 g/mol. Its IUPAC name is 2-aminooxy-N-deuterioacetamide.

Molecular Properties

Compound Name2-aminooxy-N-deuterioacetamide
PubChem CID59920372
Molecular FormulaC2H6N2O2
Molecular Weight91.09 g/mol
Exact Mass91.05
IUPAC Name2-aminooxy-N-deuterioacetamide
SMILES[2H]NC(=O)CON
InChIInChI=1S/C2H6N2O2/c3-2(5)1-6-4/h1,4H2,(H2,3,5)/i/hD
InChIKeyVTRGCUISDBTZIB-DYCDLGHISA-N
XLogP-1.64
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.09
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminooxy-N-deuterioacetamide?
The IUPAC name of 2-aminooxy-N-deuterioacetamide (CID 59920372) is 2-aminooxy-N-deuterioacetamide.
What is the SMILES notation for 2-aminooxy-N-deuterioacetamide?
The canonical SMILES for 2-aminooxy-N-deuterioacetamide is [2H]NC(=O)CON.
What is the InChIKey of 2-aminooxy-N-deuterioacetamide?
The InChIKey is VTRGCUISDBTZIB-DYCDLGHISA-N. The full InChI is InChI=1S/C2H6N2O2/c3-2(5)1-6-4/h1,4H2,(H2,3,5)/i/hD.
What are the key properties of 2-aminooxy-N-deuterioacetamide?
2-aminooxy-N-deuterioacetamide has a molecular weight of 91.09 g/mol, XLogP of -1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-deuterioacetamide is sourced from PubChem (CID 59920372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).