diazanium;2,3-dimethylbutanedioate

C6H16N2O4 — CID 162318469

IUPACdiazanium;2,3-dimethylbutanedioate
SMILESCC(C(=O)[O-])C(C)C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C6H10O4.2H3N/c1-3(5(7)8)4(2)6(9)10;;/h3-4H,1-2H3,(H,7,8)(H,9,10);2*1H3
InChIKeyGAEYIGLOEUDHEZ-UHFFFAOYSA-N
MW180.20 g/mol
LogP-1.49
Rot. Bonds3

About diazanium;2,3-dimethylbutanedioate

diazanium;2,3-dimethylbutanedioate (PubChem CID 162318469) has the molecular formula C6H16N2O4 and a molecular weight of 180.20 g/mol. Its IUPAC name is diazanium;2,3-dimethylbutanedioate.

Molecular Properties

Compound Namediazanium;2,3-dimethylbutanedioate
PubChem CID162318469
Molecular FormulaC6H16N2O4
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Namediazanium;2,3-dimethylbutanedioate
SMILESCC(C(=O)[O-])C(C)C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C6H10O4.2H3N/c1-3(5(7)8)4(2)6(9)10;;/h3-4H,1-2H3,(H,7,8)(H,9,10);2*1H3
InChIKeyGAEYIGLOEUDHEZ-UHFFFAOYSA-N
XLogP-1.49
TPSA153.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
azanium 3,3-dihydroxy-2-methylpropanoate
CID 164518262
(2S,3R)-3-hydroxy-2-methylbutanoate
CID 18654775
potassium 3,3-dihydroxy-2-methylpropanoate
CID 175445001
3-chloro-2-methylbutanoate
CID 19773769
azanium;tris(2-hydroxypropanoate);manganese(2+)
CID 158994016
barium(2+);bis(2-methylpropanoate)
CID 23219604
calcium bis(2-methylpropanoate)
CID 102602609
tris(2-methylpropanoate);thallium(3+)
CID 173444614
dilithium bis(2-methylpropanoate)
CID 86626069
dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244

Frequently Asked Questions

What is the IUPAC name of diazanium;2,3-dimethylbutanedioate?
The IUPAC name of diazanium;2,3-dimethylbutanedioate (CID 162318469) is diazanium;2,3-dimethylbutanedioate.
What is the SMILES notation for diazanium;2,3-dimethylbutanedioate?
The canonical SMILES for diazanium;2,3-dimethylbutanedioate is CC(C(=O)[O-])C(C)C(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;2,3-dimethylbutanedioate?
The InChIKey is GAEYIGLOEUDHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.2H3N/c1-3(5(7)8)4(2)6(9)10;;/h3-4H,1-2H3,(H,7,8)(H,9,10);2*1H3.
What are the key properties of diazanium;2,3-dimethylbutanedioate?
diazanium;2,3-dimethylbutanedioate has a molecular weight of 180.20 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;2,3-dimethylbutanedioate is sourced from PubChem (CID 162318469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).