3,4-dihydroxypyrrolidine-2,5-dione

C4H5NO4 — CID 18695152

IUPAC3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(O)C1O
InChIInChI=1S/C4H5NO4/c6-1-2(7)4(9)5-3(1)8/h1-2,6-7H,(H,5,8,9)
InChIKeyMPTQLFFTNNKMRP-UHFFFAOYSA-N
MW131.09 g/mol
LogP-2.64
Rot. Bonds

About 3,4-dihydroxypyrrolidine-2,5-dione

3,4-dihydroxypyrrolidine-2,5-dione (PubChem CID 18695152) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is 3,4-dihydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dihydroxypyrrolidine-2,5-dione
PubChem CID18695152
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name3,4-dihydroxypyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(O)C1O
InChIInChI=1S/C4H5NO4/c6-1-2(7)4(9)5-3(1)8/h1-2,6-7H,(H,5,8,9)
InChIKeyMPTQLFFTNNKMRP-UHFFFAOYSA-N
XLogP-2.64
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-2.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxypyrrolidine-2,5-dione?
The IUPAC name of 3,4-dihydroxypyrrolidine-2,5-dione (CID 18695152) is 3,4-dihydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dihydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dihydroxypyrrolidine-2,5-dione is O=C1NC(=O)C(O)C1O.
What is the InChIKey of 3,4-dihydroxypyrrolidine-2,5-dione?
The InChIKey is MPTQLFFTNNKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4/c6-1-2(7)4(9)5-3(1)8/h1-2,6-7H,(H,5,8,9).
What are the key properties of 3,4-dihydroxypyrrolidine-2,5-dione?
3,4-dihydroxypyrrolidine-2,5-dione has a molecular weight of 131.09 g/mol, XLogP of -2.64, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 18695152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).