sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride

C10H15N4NaO8S — CID 173434771

IUPACsodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride
SMILESCC(=O)N1CC(=O)N(CC(=O)NC2C[N+]([O-])(S(=O)(=O)O)C2)C1=O.[H-].[Na+]
InChIInChI=1S/C10H14N4O8S.Na.H/c1-6(15)12-3-9(17)13(10(12)18)2-8(16)11-7-4-14(19,5-7)23(20,21)22;;/h7H,2-5H2,1H3,(H,11,16)(H,20,21,22);;/q;+1;-1
InChIKeyXKWXLQNLEVFZNV-UHFFFAOYSA-N
MW374.31 g/mol
LogP-5.47
Rot. Bonds4

About sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride

sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride (PubChem CID 173434771) has the molecular formula C10H15N4NaO8S and a molecular weight of 374.31 g/mol. Its IUPAC name is sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride
PubChem CID173434771
Molecular FormulaC10H15N4NaO8S
Molecular Weight374.31 g/mol
Exact Mass374.05
IUPAC Namesodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride
SMILESCC(=O)N1CC(=O)N(CC(=O)NC2C[N+]([O-])(S(=O)(=O)O)C2)C1=O.[H-].[Na+]
InChIInChI=1S/C10H14N4O8S.Na.H/c1-6(15)12-3-9(17)13(10(12)18)2-8(16)11-7-4-14(19,5-7)23(20,21)22;;/h7H,2-5H2,1H3,(H,11,16)(H,20,21,22);;/q;+1;-1
InChIKeyXKWXLQNLEVFZNV-UHFFFAOYSA-N
XLogP-5.47
TPSA164.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 5-5.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', '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]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride?
The IUPAC name of sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride (CID 173434771) is sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride?
The canonical SMILES for sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride is CC(=O)N1CC(=O)N(CC(=O)NC2C[N+]([O-])(S(=O)(=O)O)C2)C1=O.[H-].[Na+].
What is the InChIKey of sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride?
The InChIKey is XKWXLQNLEVFZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O8S.Na.H/c1-6(15)12-3-9(17)13(10(12)18)2-8(16)11-7-4-14(19,5-7)23(20,21)22;;/h7H,2-5H2,1H3,(H,11,16)(H,20,21,22);;/q;+1;-1.
What are the key properties of sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride?
sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride has a molecular weight of 374.31 g/mol, XLogP of -5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[[2-(3-acetyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-1-oxidoazetidin-1-ium-1-sulfonic acid;hydride is sourced from PubChem (CID 173434771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).