2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid

C8H12N4O6S — CID 21244262

IUPAC2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
SMILESO=C(CN1CCNC1=O)NC1CN(S(=O)(=O)O)C1=O
InChIInChI=1S/C8H12N4O6S/c13-6(4-11-2-1-9-8(11)15)10-5-3-12(7(5)14)19(16,17)18/h5H,1-4H2,(H,9,15)(H,10,13)(H,16,17,18)
InChIKeyVFNGBOMFEDDTSO-UHFFFAOYSA-N
MW292.27 g/mol
LogP-2.86
Rot. Bonds4

About 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid

2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid (PubChem CID 21244262) has the molecular formula C8H12N4O6S and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid.

Molecular Properties

Compound Name2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
PubChem CID21244262
Molecular FormulaC8H12N4O6S
Molecular Weight292.27 g/mol
Exact Mass292.05
IUPAC Name2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
SMILESO=C(CN1CCNC1=O)NC1CN(S(=O)(=O)O)C1=O
InChIInChI=1S/C8H12N4O6S/c13-6(4-11-2-1-9-8(11)15)10-5-3-12(7(5)14)19(16,17)18/h5H,1-4H2,(H,9,15)(H,10,13)(H,16,17,18)
InChIKeyVFNGBOMFEDDTSO-UHFFFAOYSA-N
XLogP-2.86
TPSA136.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-2.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxoazetidin-3-yl)-2-(2-oxoimidazolidin-1-yl)acetamide
CID 21244106
2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
CID 21244120
3-[[2-(3-Acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid
CID 21244964
Sodium 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonate
CID 23705512
Sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate
CID 23705649
[(3S)-2-oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid
CID 54280043
[2-Oxo-1-[(2-oxoimidazolidine-1-carbonyl)sulfamoylcarbamoyl]azetidin-3-yl]carbamic acid
CID 56987942
2-Hydroxy-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
CID 57109754
1-(2-Oxoazetidin-3-yl)imidazolidin-2-one
CID 117669922
Sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
CID 173396103
Sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid;hydride
CID 173396292
Sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride
CID 173434771

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The IUPAC name of 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid (CID 21244262) is 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid.
What is the SMILES notation for 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The canonical SMILES for 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid is O=C(CN1CCNC1=O)NC1CN(S(=O)(=O)O)C1=O.
What is the InChIKey of 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The InChIKey is VFNGBOMFEDDTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O6S/c13-6(4-11-2-1-9-8(11)15)10-5-3-12(7(5)14)19(16,17)18/h5H,1-4H2,(H,9,15)(H,10,13)(H,16,17,18).
What are the key properties of 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid has a molecular weight of 292.27 g/mol, XLogP of -2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid is sourced from PubChem (CID 21244262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).