diazanium;oxalate;propanoic acid

C5H14N2O6 — CID 172775496

IUPACdiazanium;oxalate;propanoic acid
SMILESCCC(=O)O.O=C([O-])C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C3H6O2.C2H2O4.2H3N/c1-2-3(4)5;3-1(4)2(5)6;;/h2H2,1H3,(H,4,5);(H,3,4)(H,5,6);2*1H3
InChIKeyNNNOBPUOJXCYDR-UHFFFAOYSA-N
MW198.17 g/mol
LogP-2.28
Rot. Bonds1

About diazanium;oxalate;propanoic acid

diazanium;oxalate;propanoic acid (PubChem CID 172775496) has the molecular formula C5H14N2O6 and a molecular weight of 198.17 g/mol. Its IUPAC name is diazanium;oxalate;propanoic acid.

Molecular Properties

Compound Namediazanium;oxalate;propanoic acid
PubChem CID172775496
Molecular FormulaC5H14N2O6
Molecular Weight198.17 g/mol
Exact Mass198.09
IUPAC Namediazanium;oxalate;propanoic acid
SMILESCCC(=O)O.O=C([O-])C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C3H6O2.C2H2O4.2H3N/c1-2-3(4)5;3-1(4)2(5)6;;/h2H2,1H3,(H,4,5);(H,3,4)(H,5,6);2*1H3
InChIKeyNNNOBPUOJXCYDR-UHFFFAOYSA-N
XLogP-2.28
TPSA190.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 5-2.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 87066971
propanoic acid;hydrate
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propanoic acid;dihydrochloride
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propanoic acid;dihydrofluoride
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Frequently Asked Questions

What is the IUPAC name of diazanium;oxalate;propanoic acid?
The IUPAC name of diazanium;oxalate;propanoic acid (CID 172775496) is diazanium;oxalate;propanoic acid.
What is the SMILES notation for diazanium;oxalate;propanoic acid?
The canonical SMILES for diazanium;oxalate;propanoic acid is CCC(=O)O.O=C([O-])C(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;oxalate;propanoic acid?
The InChIKey is NNNOBPUOJXCYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H2O4.2H3N/c1-2-3(4)5;3-1(4)2(5)6;;/h2H2,1H3,(H,4,5);(H,3,4)(H,5,6);2*1H3.
What are the key properties of diazanium;oxalate;propanoic acid?
diazanium;oxalate;propanoic acid has a molecular weight of 198.17 g/mol, XLogP of -2.28, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;oxalate;propanoic acid is sourced from PubChem (CID 172775496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).