2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate

C10H17N2O9+ — CID 158189516

IUPAC2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate
SMILESO=C([O-])C1OC(C(=O)O)C(C(=O)O)C1C(=O)O.[NH3+]CC[NH3+]
InChIInChI=1S/C8H8O9.C2H8N2/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14;3-1-2-4/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16);1-4H2/p+1
InChIKeyFZOLVKMERGROMI-UHFFFAOYSA-O
MW309.25 g/mol
LogP-5.54
Rot. Bonds5

About 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate

2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate (PubChem CID 158189516) has the molecular formula C10H17N2O9+ and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate.

Molecular Properties

Compound Name2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate
PubChem CID158189516
Molecular FormulaC10H17N2O9+
Molecular Weight309.25 g/mol
Exact Mass309.09
IUPAC Name2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate
SMILESO=C([O-])C1OC(C(=O)O)C(C(=O)O)C1C(=O)O.[NH3+]CC[NH3+]
InChIInChI=1S/C8H8O9.C2H8N2/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14;3-1-2-4/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16);1-4H2/p+1
InChIKeyFZOLVKMERGROMI-UHFFFAOYSA-O
XLogP-5.54
TPSA216.54 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 5-5.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate?
The IUPAC name of 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate (CID 158189516) is 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate.
What is the SMILES notation for 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate?
The canonical SMILES for 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate is O=C([O-])C1OC(C(=O)O)C(C(=O)O)C1C(=O)O.[NH3+]CC[NH3+].
What is the InChIKey of 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate?
The InChIKey is FZOLVKMERGROMI-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8O9.C2H8N2/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14;3-1-2-4/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16);1-4H2/p+1.
What are the key properties of 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate?
2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate has a molecular weight of 309.25 g/mol, XLogP of -5.54, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethylazanium;3,4,5-tricarboxyoxolane-2-carboxylate is sourced from PubChem (CID 158189516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).