3-aminooxolane-2,4-dione

C4H5NO3 — CID 69284948

IUPAC3-aminooxolane-2,4-dione
SMILESNC1C(=O)COC1=O
InChIInChI=1S/C4H5NO3/c5-3-2(6)1-8-4(3)7/h3H,1,5H2
InChIKeyIAOMJFCJRDYKSX-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.56
Rot. Bonds

About 3-aminooxolane-2,4-dione

3-aminooxolane-2,4-dione (PubChem CID 69284948) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 3-aminooxolane-2,4-dione.

Molecular Properties

Compound Name3-aminooxolane-2,4-dione
PubChem CID69284948
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name3-aminooxolane-2,4-dione
SMILESNC1C(=O)COC1=O
InChIInChI=1S/C4H5NO3/c5-3-2(6)1-8-4(3)7/h3H,1,5H2
InChIKeyIAOMJFCJRDYKSX-UHFFFAOYSA-N
XLogP-1.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminooxolane-2,4-dione?
The IUPAC name of 3-aminooxolane-2,4-dione (CID 69284948) is 3-aminooxolane-2,4-dione.
What is the SMILES notation for 3-aminooxolane-2,4-dione?
The canonical SMILES for 3-aminooxolane-2,4-dione is NC1C(=O)COC1=O.
What is the InChIKey of 3-aminooxolane-2,4-dione?
The InChIKey is IAOMJFCJRDYKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c5-3-2(6)1-8-4(3)7/h3H,1,5H2.
What are the key properties of 3-aminooxolane-2,4-dione?
3-aminooxolane-2,4-dione has a molecular weight of 115.09 g/mol, XLogP of -1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxolane-2,4-dione is sourced from PubChem (CID 69284948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).