2-hydroperoxyacetamide

C2H5NO3 — CID 53437904

IUPAC2-hydroperoxyacetamide
SMILESNC(=O)COO
InChIInChI=1S/C2H5NO3/c3-2(4)1-6-5/h5H,1H2,(H2,3,4)
InChIKeyPIXUMRYEAGBBSA-UHFFFAOYSA-N
MW91.07 g/mol
LogP-1.04
Rot. Bonds2

About 2-hydroperoxyacetamide

2-hydroperoxyacetamide (PubChem CID 53437904) has the molecular formula C2H5NO3 and a molecular weight of 91.07 g/mol. Its IUPAC name is 2-hydroperoxyacetamide.

Molecular Properties

Compound Name2-hydroperoxyacetamide
PubChem CID53437904
Molecular FormulaC2H5NO3
Molecular Weight91.07 g/mol
Exact Mass91.03
IUPAC Name2-hydroperoxyacetamide
SMILESNC(=O)COO
InChIInChI=1S/C2H5NO3/c3-2(4)1-6-5/h5H,1H2,(H2,3,4)
InChIKeyPIXUMRYEAGBBSA-UHFFFAOYSA-N
XLogP-1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.07
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyacetamide
CID 69021
2-(Aminooxy)acetamide
CID 13956184
2-Hydroxyacetamide--hydrogen chloride (1/1)
CID 22492081
2-Hydroxyacetamide;hydrobromide
CID 22929844
2-aminooxy-N-deuterioacetamide
CID 59920372
2-Sulfanyloxyacetamide
CID 88958482
2-hydroxy-N-iodoacetamide
CID 117791669
(2-Amino-2-oxoethyl) hypoiodite
CID 118501112
2-Methylperoxyacetamide
CID 129273207
Sodium 2-amino-2-oxoethanolate
CID 139729806
CID 162331627
CID 162331627
2-Hydroxyacetamide;hydrate
CID 168864854

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxyacetamide?
The IUPAC name of 2-hydroperoxyacetamide (CID 53437904) is 2-hydroperoxyacetamide.
What is the SMILES notation for 2-hydroperoxyacetamide?
The canonical SMILES for 2-hydroperoxyacetamide is NC(=O)COO.
What is the InChIKey of 2-hydroperoxyacetamide?
The InChIKey is PIXUMRYEAGBBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3/c3-2(4)1-6-5/h5H,1H2,(H2,3,4).
What are the key properties of 2-hydroperoxyacetamide?
2-hydroperoxyacetamide has a molecular weight of 91.07 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxyacetamide is sourced from PubChem (CID 53437904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).