2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide

C5H12N4O3 — CID 106241335

IUPAC2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide
SMILESNC(=O)COCC/N=C(\N)NO
InChIInChI=1S/C5H12N4O3/c6-4(10)3-12-2-1-8-5(7)9-11/h11H,1-3H2,(H2,6,10)(H3,7,8,9)
InChIKeySXDWUMHCLOIJFF-UHFFFAOYSA-N
MW176.18 g/mol
LogP-2.22
Rot. Bonds5

About 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide

2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide (PubChem CID 106241335) has the molecular formula C5H12N4O3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide
PubChem CID106241335
Molecular FormulaC5H12N4O3
Molecular Weight176.18 g/mol
Exact Mass176.09
IUPAC Name2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide
SMILESNC(=O)COCC/N=C(\N)NO
InChIInChI=1S/C5H12N4O3/c6-4(10)3-12-2-1-8-5(7)9-11/h11H,1-3H2,(H2,6,10)(H3,7,8,9)
InChIKeySXDWUMHCLOIJFF-UHFFFAOYSA-N
XLogP-2.22
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide (CID 106241335) is 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide is NC(=O)COCC/N=C(\N)NO.
What is the InChIKey of 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide?
The InChIKey is SXDWUMHCLOIJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O3/c6-4(10)3-12-2-1-8-5(7)9-11/h11H,1-3H2,(H2,6,10)(H3,7,8,9).
What are the key properties of 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide?
2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide has a molecular weight of 176.18 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[amino-(hydroxyamino)methylidene]amino]ethoxy]acetamide is sourced from PubChem (CID 106241335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).