hydroxycarbamoyl acetate

C3H5NO4 — CID 15549261

IUPAChydroxycarbamoyl acetate
SMILESCC(=O)OC(=O)NO
InChIInChI=1S/C3H5NO4/c1-2(5)8-3(6)4-7/h7H,1H3,(H,4,6)
InChIKeyDFUXHKDPVJEPOX-UHFFFAOYSA-N
MW119.08 g/mol
LogP-0.35
Rot. Bonds

About hydroxycarbamoyl acetate

hydroxycarbamoyl acetate (PubChem CID 15549261) has the molecular formula C3H5NO4 and a molecular weight of 119.08 g/mol. Its IUPAC name is hydroxycarbamoyl acetate.

Molecular Properties

Compound Namehydroxycarbamoyl acetate
PubChem CID15549261
Molecular FormulaC3H5NO4
Molecular Weight119.08 g/mol
Exact Mass119.02
IUPAC Namehydroxycarbamoyl acetate
SMILESCC(=O)OC(=O)NO
InChIInChI=1S/C3H5NO4/c1-2(5)8-3(6)4-7/h7H,1H3,(H,4,6)
InChIKeyDFUXHKDPVJEPOX-UHFFFAOYSA-N
XLogP-0.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazinecarbonyl acetate
CID 129117292
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Frequently Asked Questions

What is the IUPAC name of hydroxycarbamoyl acetate?
The IUPAC name of hydroxycarbamoyl acetate (CID 15549261) is hydroxycarbamoyl acetate.
What is the SMILES notation for hydroxycarbamoyl acetate?
The canonical SMILES for hydroxycarbamoyl acetate is CC(=O)OC(=O)NO.
What is the InChIKey of hydroxycarbamoyl acetate?
The InChIKey is DFUXHKDPVJEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO4/c1-2(5)8-3(6)4-7/h7H,1H3,(H,4,6).
What are the key properties of hydroxycarbamoyl acetate?
hydroxycarbamoyl acetate has a molecular weight of 119.08 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxycarbamoyl acetate is sourced from PubChem (CID 15549261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).