ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid

C10H20N2O12 — CID 139053074

IUPACethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid
SMILESCC[NH3+].CC[NH3+].O=C(O)C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)O
InChIInChI=1S/2C2H7N.3C2H2O4/c2*1-2-3;3*3-1(4)2(5)6/h2*2-3H2,1H3;3*(H,3,4)(H,5,6)
InChIKeyCOHRRWODCYSBAK-UHFFFAOYSA-N
MW360.27 g/mol
LogP-6.71
Rot. Bonds

About ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid

ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid (PubChem CID 139053074) has the molecular formula C10H20N2O12 and a molecular weight of 360.27 g/mol. Its IUPAC name is ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid.

Molecular Properties

Compound Nameethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid
PubChem CID139053074
Molecular FormulaC10H20N2O12
Molecular Weight360.27 g/mol
Exact Mass360.10
IUPAC Nameethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid
SMILESCC[NH3+].CC[NH3+].O=C(O)C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)O
InChIInChI=1S/2C2H7N.3C2H2O4/c2*1-2-3;3*3-1(4)2(5)6/h2*2-3H2,1H3;3*(H,3,4)(H,5,6)
InChIKeyCOHRRWODCYSBAK-UHFFFAOYSA-N
XLogP-6.71
TPSA284.74 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.27
LogP ≤ 5-6.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
hydron;2-hydroxy-2-oxoacetate
CID 173323775
diethoxyphosphorylmethylazanium;2-hydroxy-2-oxoacetate
CID 66557810
2-hydroxy-2-oxoacetate;tripropylsulfanium
CID 173028379
2-aminoacetate;ethylazanium
CID 87377737
azane;hydron;2-hydroxy-2-oxoacetate
CID 173005395
bis(2-hydroxy-2-oxoacetate);oxotitanium
CID 50910318
ethanol;oxalic acid
CID 172820699
sodium;2-hydroxy-2-oxoacetate;hydrochloride
CID 141113765
dicesium;oxalate;oxalic acid
CID 139047243
2-diethoxyphosphorylethylazanium;2-hydroxy-2-oxoacetate
CID 146675976
cobalt(2+);oxalic acid;diacetate
CID 158634462

Frequently Asked Questions

What is the IUPAC name of ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid?
The IUPAC name of ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid (CID 139053074) is ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid.
What is the SMILES notation for ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid?
The canonical SMILES for ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid is CC[NH3+].CC[NH3+].O=C(O)C(=O)O.O=C([O-])C(=O)O.O=C([O-])C(=O)O.
What is the InChIKey of ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid?
The InChIKey is COHRRWODCYSBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H7N.3C2H2O4/c2*1-2-3;3*3-1(4)2(5)6/h2*2-3H2,1H3;3*(H,3,4)(H,5,6).
What are the key properties of ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid?
ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid has a molecular weight of 360.27 g/mol, XLogP of -6.71, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;bis(2-hydroxy-2-oxoacetate);oxalic acid is sourced from PubChem (CID 139053074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).