2-(trideuteriomethoxy)acetohydrazide

C3H8N2O2 — CID 153434889

IUPAC2-(trideuteriomethoxy)acetohydrazide
SMILES[2H]C([2H])([2H])OCC(=O)NN
InChIInChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)/i1D3
InChIKeyXEPXDMNZXBUSOI-FIBGUPNXSA-N
MW107.13 g/mol
LogP-1.38
Rot. Bonds3

About 2-(trideuteriomethoxy)acetohydrazide

2-(trideuteriomethoxy)acetohydrazide (PubChem CID 153434889) has the molecular formula C3H8N2O2 and a molecular weight of 107.13 g/mol. Its IUPAC name is 2-(trideuteriomethoxy)acetohydrazide.

Molecular Properties

Compound Name2-(trideuteriomethoxy)acetohydrazide
PubChem CID153434889
Molecular FormulaC3H8N2O2
Molecular Weight107.13 g/mol
Exact Mass107.08
IUPAC Name2-(trideuteriomethoxy)acetohydrazide
SMILES[2H]C([2H])([2H])OCC(=O)NN
InChIInChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)/i1D3
InChIKeyXEPXDMNZXBUSOI-FIBGUPNXSA-N
XLogP-1.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.13
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethoxy)acetohydrazide?
The IUPAC name of 2-(trideuteriomethoxy)acetohydrazide (CID 153434889) is 2-(trideuteriomethoxy)acetohydrazide.
What is the SMILES notation for 2-(trideuteriomethoxy)acetohydrazide?
The canonical SMILES for 2-(trideuteriomethoxy)acetohydrazide is [2H]C([2H])([2H])OCC(=O)NN.
What is the InChIKey of 2-(trideuteriomethoxy)acetohydrazide?
The InChIKey is XEPXDMNZXBUSOI-FIBGUPNXSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)/i1D3.
What are the key properties of 2-(trideuteriomethoxy)acetohydrazide?
2-(trideuteriomethoxy)acetohydrazide has a molecular weight of 107.13 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethoxy)acetohydrazide is sourced from PubChem (CID 153434889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).