[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate

C5H6NO8P — CID 174884796

IUPAC[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate
SMILESO=C(O)OP(=O)(O)ON1C(=O)CCC1=O
InChIInChI=1S/C5H6NO8P/c7-3-1-2-4(8)6(3)14-15(11,12)13-5(9)10/h1-2H2,(H,9,10)(H,11,12)
InChIKeyNNPMKEBJHALKCL-UHFFFAOYSA-N
MW239.08 g/mol
LogP-0.14
Rot. Bonds3

About [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate

[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate (PubChem CID 174884796) has the molecular formula C5H6NO8P and a molecular weight of 239.08 g/mol. Its IUPAC name is [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate.

Molecular Properties

Compound Name[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate
PubChem CID174884796
Molecular FormulaC5H6NO8P
Molecular Weight239.08 g/mol
Exact Mass238.98
IUPAC Name[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate
SMILESO=C(O)OP(=O)(O)ON1C(=O)CCC1=O
InChIInChI=1S/C5H6NO8P/c7-3-1-2-4(8)6(3)14-15(11,12)13-5(9)10/h1-2H2,(H,9,10)(H,11,12)
InChIKeyNNPMKEBJHALKCL-UHFFFAOYSA-N
XLogP-0.14
TPSA130.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate?
The IUPAC name of [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate (CID 174884796) is [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate.
What is the SMILES notation for [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate?
The canonical SMILES for [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate is O=C(O)OP(=O)(O)ON1C(=O)CCC1=O.
What is the InChIKey of [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate?
The InChIKey is NNPMKEBJHALKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO8P/c7-3-1-2-4(8)6(3)14-15(11,12)13-5(9)10/h1-2H2,(H,9,10)(H,11,12).
What are the key properties of [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate?
[(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate has a molecular weight of 239.08 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dioxopyrrolidin-1-yl)oxy-hydroxyphosphoryl] hydrogen carbonate is sourced from PubChem (CID 174884796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).