1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid

C5H9NO6S — CID 22721503

IUPAC1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.CH4O3S/c6-3-1-2-4(7)5(3)8;1-5(2,3)4/h8H,1-2H2;1H3,(H,2,3,4)
InChIKeyFFKFRQVYUILJCW-UHFFFAOYSA-N
MW211.19 g/mol
LogP-0.97
Rot. Bonds

About 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid

1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid (PubChem CID 22721503) has the molecular formula C5H9NO6S and a molecular weight of 211.19 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid
PubChem CID22721503
Molecular FormulaC5H9NO6S
Molecular Weight211.19 g/mol
Exact Mass211.02
IUPAC Name1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.CH4O3S/c6-3-1-2-4(7)5(3)8;1-5(2,3)4/h8H,1-2H2;1H3,(H,2,3,4)
InChIKeyFFKFRQVYUILJCW-UHFFFAOYSA-N
XLogP-0.97
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid (CID 22721503) is 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid is CS(=O)(=O)O.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid?
The InChIKey is FFKFRQVYUILJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.CH4O3S/c6-3-1-2-4(7)5(3)8;1-5(2,3)4/h8H,1-2H2;1H3,(H,2,3,4).
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid?
1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid has a molecular weight of 211.19 g/mol, XLogP of -0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;methanesulfonic acid is sourced from PubChem (CID 22721503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).