2-oxoazetidine-3-sulfonic acid

C3H5NO4S — CID 174294996

IUPAC2-oxoazetidine-3-sulfonic acid
SMILESO=C1NCC1S(=O)(=O)O
InChIInChI=1S/C3H5NO4S/c5-3-2(1-4-3)9(6,7)8/h2H,1H2,(H,4,5)(H,6,7,8)
InChIKeyHFLLQWSBENXWAG-UHFFFAOYSA-N
MW151.14 g/mol
LogP-1.63
Rot. Bonds1

About 2-oxoazetidine-3-sulfonic acid

2-oxoazetidine-3-sulfonic acid (PubChem CID 174294996) has the molecular formula C3H5NO4S and a molecular weight of 151.14 g/mol. Its IUPAC name is 2-oxoazetidine-3-sulfonic acid.

Molecular Properties

Compound Name2-oxoazetidine-3-sulfonic acid
PubChem CID174294996
Molecular FormulaC3H5NO4S
Molecular Weight151.14 g/mol
Exact Mass150.99
IUPAC Name2-oxoazetidine-3-sulfonic acid
SMILESO=C1NCC1S(=O)(=O)O
InChIInChI=1S/C3H5NO4S/c5-3-2(1-4-3)9(6,7)8/h2H,1H2,(H,4,5)(H,6,7,8)
InChIKeyHFLLQWSBENXWAG-UHFFFAOYSA-N
XLogP-1.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxoazetidine-3-sulfonic acid?
The IUPAC name of 2-oxoazetidine-3-sulfonic acid (CID 174294996) is 2-oxoazetidine-3-sulfonic acid.
What is the SMILES notation for 2-oxoazetidine-3-sulfonic acid?
The canonical SMILES for 2-oxoazetidine-3-sulfonic acid is O=C1NCC1S(=O)(=O)O.
What is the InChIKey of 2-oxoazetidine-3-sulfonic acid?
The InChIKey is HFLLQWSBENXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO4S/c5-3-2(1-4-3)9(6,7)8/h2H,1H2,(H,4,5)(H,6,7,8).
What are the key properties of 2-oxoazetidine-3-sulfonic acid?
2-oxoazetidine-3-sulfonic acid has a molecular weight of 151.14 g/mol, XLogP of -1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoazetidine-3-sulfonic acid is sourced from PubChem (CID 174294996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).