sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate

C10H11N4NaO8S — CID 23705649

IUPACsodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate
SMILESCC(=O)N1CC(=O)N(CC(=O)NC2CN(S(=O)(=O)[O-])C2=O)C1=O.[Na+]
InChIInChI=1S/C10H12N4O8S.Na/c1-5(15)12-4-8(17)13(10(12)19)3-7(16)11-6-2-14(9(6)18)23(20,21)22;/h6H,2-4H2,1H3,(H,11,16)(H,20,21,22);/q;+1/p-1
InChIKeyHNOYZTFICRMVAI-UHFFFAOYSA-M
MW370.28 g/mol
LogP-6.41
Rot. Bonds4

About sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate

sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate (PubChem CID 23705649) has the molecular formula C10H11N4NaO8S and a molecular weight of 370.28 g/mol. Its IUPAC name is sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate.

Molecular Properties

Compound Namesodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate
PubChem CID23705649
Molecular FormulaC10H11N4NaO8S
Molecular Weight370.28 g/mol
Exact Mass370.02
IUPAC Namesodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate
SMILESCC(=O)N1CC(=O)N(CC(=O)NC2CN(S(=O)(=O)[O-])C2=O)C1=O.[Na+]
InChIInChI=1S/C10H12N4O8S.Na/c1-5(15)12-4-8(17)13(10(12)19)3-7(16)11-6-2-14(9(6)18)23(20,21)22;/h6H,2-4H2,1H3,(H,11,16)(H,20,21,22);/q;+1/p-1
InChIKeyHNOYZTFICRMVAI-UHFFFAOYSA-M
XLogP-6.41
TPSA164.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 5-6.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate?
The IUPAC name of sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate (CID 23705649) is sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate.
What is the SMILES notation for sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate?
The canonical SMILES for sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate is CC(=O)N1CC(=O)N(CC(=O)NC2CN(S(=O)(=O)[O-])C2=O)C1=O.[Na+].
What is the InChIKey of sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate?
The InChIKey is HNOYZTFICRMVAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N4O8S.Na/c1-5(15)12-4-8(17)13(10(12)19)3-7(16)11-6-2-14(9(6)18)23(20,21)22;/h6H,2-4H2,1H3,(H,11,16)(H,20,21,22);/q;+1/p-1.
What are the key properties of sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate?
sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate has a molecular weight of 370.28 g/mol, XLogP of -6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonate is sourced from PubChem (CID 23705649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).