1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid

C6H7NO8 — CID 19876379

IUPAC1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid
SMILESO=C(O)C(=O)O.O=C1CC(O)C(=O)N1O
InChIInChI=1S/C4H5NO4.C2H2O4/c6-2-1-3(7)5(9)4(2)8;3-1(4)2(5)6/h2,6,9H,1H2;(H,3,4)(H,5,6)
InChIKeyMTNYSMKPVXMJPP-UHFFFAOYSA-N
MW221.12 g/mol
LogP-2.35
Rot. Bonds

About 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid

1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid (PubChem CID 19876379) has the molecular formula C6H7NO8 and a molecular weight of 221.12 g/mol. Its IUPAC name is 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid.

Molecular Properties

Compound Name1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid
PubChem CID19876379
Molecular FormulaC6H7NO8
Molecular Weight221.12 g/mol
Exact Mass221.02
IUPAC Name1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid
SMILESO=C(O)C(=O)O.O=C1CC(O)C(=O)N1O
InChIInChI=1S/C4H5NO4.C2H2O4/c6-2-1-3(7)5(9)4(2)8;3-1(4)2(5)6/h2,6,9H,1H2;(H,3,4)(H,5,6)
InChIKeyMTNYSMKPVXMJPP-UHFFFAOYSA-N
XLogP-2.35
TPSA152.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid?
The IUPAC name of 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid (CID 19876379) is 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid.
What is the SMILES notation for 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid?
The canonical SMILES for 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid is O=C(O)C(=O)O.O=C1CC(O)C(=O)N1O.
What is the InChIKey of 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid?
The InChIKey is MTNYSMKPVXMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO4.C2H2O4/c6-2-1-3(7)5(9)4(2)8;3-1(4)2(5)6/h2,6,9H,1H2;(H,3,4)(H,5,6).
What are the key properties of 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid?
1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid has a molecular weight of 221.12 g/mol, XLogP of -2.35, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypyrrolidine-2,5-dione;oxalic acid is sourced from PubChem (CID 19876379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).