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

C8H13N4NaO6S — CID 173396103

IUPACsodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
SMILESO=C(CN1CCNC1=O)NC1CN(S(=O)(=O)O)C1=O.[H-].[Na+]
InChIInChI=1S/C8H12N4O6S.Na.H/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);;/q;+1;-1
InChIKeyOVUDSAGTTMQDCM-UHFFFAOYSA-N
MW316.27 g/mol
LogP-5.74
Rot. Bonds4

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

sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid (PubChem CID 173396103) has the molecular formula C8H13N4NaO6S and a molecular weight of 316.27 g/mol. Its IUPAC name is sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
PubChem CID173396103
Molecular FormulaC8H13N4NaO6S
Molecular Weight316.27 g/mol
Exact Mass316.05
IUPAC Namesodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid
SMILESO=C(CN1CCNC1=O)NC1CN(S(=O)(=O)O)C1=O.[H-].[Na+]
InChIInChI=1S/C8H12N4O6S.Na.H/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);;/q;+1;-1
InChIKeyOVUDSAGTTMQDCM-UHFFFAOYSA-N
XLogP-5.74
TPSA136.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 5-5.74
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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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The IUPAC name of sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid (CID 173396103) is sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid.
What is the SMILES notation for sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The canonical SMILES for sodium;hydride;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.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
The InChIKey is OVUDSAGTTMQDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O6S.Na.H/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);;/q;+1;-1.
What are the key properties of sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid?
sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid has a molecular weight of 316.27 g/mol, XLogP of -5.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-oxo-3-[[2-(2-oxoimidazolidin-1-yl)acetyl]amino]azetidine-1-sulfonic acid is sourced from PubChem (CID 173396103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).