2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)

C10H24N2O6 — CID 139301413

IUPAC2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)
SMILESCC(C)[NH3+].CC(C)[NH3+].O=C([O-])C(O)C(O)C(=O)[O-]
InChIInChI=1S/C4H6O6.2C3H9N/c5-1(3(7)8)2(6)4(9)10;2*1-3(2)4/h1-2,5-6H,(H,7,8)(H,9,10);2*3H,4H2,1-2H3
InChIKeyMOUOCMSNPLHGRA-UHFFFAOYSA-N
MW268.31 g/mol
LogP-5.52
Rot. Bonds3

About 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)

2,3-dihydroxybutanedioate;bis(propan-2-ylazanium) (PubChem CID 139301413) has the molecular formula C10H24N2O6 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium).

Molecular Properties

Compound Name2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)
PubChem CID139301413
Molecular FormulaC10H24N2O6
Molecular Weight268.31 g/mol
Exact Mass268.16
IUPAC Name2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)
SMILESCC(C)[NH3+].CC(C)[NH3+].O=C([O-])C(O)C(O)C(=O)[O-]
InChIInChI=1S/C4H6O6.2C3H9N/c5-1(3(7)8)2(6)4(9)10;2*1-3(2)4/h1-2,5-6H,(H,7,8)(H,9,10);2*3H,4H2,1-2H3
InChIKeyMOUOCMSNPLHGRA-UHFFFAOYSA-N
XLogP-5.52
TPSA176.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-5.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydroxybutanedioate
CID 19608871
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 139045346
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
propan-2-ylazanium acetate
CID 22623609
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
azanium;2,3-dihydroxybutanedioate;iron(3+)
CID 22027283

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)?
The IUPAC name of 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium) (CID 139301413) is 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium).
What is the SMILES notation for 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)?
The canonical SMILES for 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium) is CC(C)[NH3+].CC(C)[NH3+].O=C([O-])C(O)C(O)C(=O)[O-].
What is the InChIKey of 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)?
The InChIKey is MOUOCMSNPLHGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O6.2C3H9N/c5-1(3(7)8)2(6)4(9)10;2*1-3(2)4/h1-2,5-6H,(H,7,8)(H,9,10);2*3H,4H2,1-2H3.
What are the key properties of 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium)?
2,3-dihydroxybutanedioate;bis(propan-2-ylazanium) has a molecular weight of 268.31 g/mol, XLogP of -5.52, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioate;bis(propan-2-ylazanium) is sourced from PubChem (CID 139301413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).