diazanium;but-2-enedioate;but-2-enedioic acid

C8H14N2O8 — CID 158249134

IUPACdiazanium;but-2-enedioate;but-2-enedioic acid
SMILESO=C(O)C=CC(=O)O.O=C([O-])C=CC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/2C4H4O4.2H3N/c2*5-3(6)1-2-4(7)8;;/h2*1-2H,(H,5,6)(H,7,8);2*1H3
InChIKeyGGMNADCNNHRCDA-UHFFFAOYSA-N
MW266.21 g/mol
LogP-2.49
Rot. Bonds4

About diazanium;but-2-enedioate;but-2-enedioic acid

diazanium;but-2-enedioate;but-2-enedioic acid (PubChem CID 158249134) has the molecular formula C8H14N2O8 and a molecular weight of 266.21 g/mol. Its IUPAC name is diazanium;but-2-enedioate;but-2-enedioic acid.

Molecular Properties

Compound Namediazanium;but-2-enedioate;but-2-enedioic acid
PubChem CID158249134
Molecular FormulaC8H14N2O8
Molecular Weight266.21 g/mol
Exact Mass266.08
IUPAC Namediazanium;but-2-enedioate;but-2-enedioic acid
SMILESO=C(O)C=CC(=O)O.O=C([O-])C=CC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/2C4H4O4.2H3N/c2*5-3(6)1-2-4(7)8;;/h2*1-2H,(H,5,6)(H,7,8);2*1H3
InChIKeyGGMNADCNNHRCDA-UHFFFAOYSA-N
XLogP-2.49
TPSA227.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azanium (E)-4-hydroxy-4-oxobut-2-enoate
CID 86747612
azanium;(Z)-4-hydroxy-4-oxobut-2-enoate;hydrate
CID 139697277
potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate
CID 173151140
(E)-but-2-enedioate
CID 5460307
but-2-enedioate;manganese(2+)
CID 57354505
bis((Z)-but-2-enedioate);copper
CID 172736667
disodium;(Z)-but-2-enedioate
CID 6364608
disodium;(2,3-13C2)but-2-enedioate
CID 118797082
tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
beryllium (Z)-but-2-enedioate
CID 140577680
tris((Z)-but-2-enedioate);bis(cobalt(3+))
CID 158794595
dizinc bis(but-2-enedioate)
CID 173264948

Frequently Asked Questions

What is the IUPAC name of diazanium;but-2-enedioate;but-2-enedioic acid?
The IUPAC name of diazanium;but-2-enedioate;but-2-enedioic acid (CID 158249134) is diazanium;but-2-enedioate;but-2-enedioic acid.
What is the SMILES notation for diazanium;but-2-enedioate;but-2-enedioic acid?
The canonical SMILES for diazanium;but-2-enedioate;but-2-enedioic acid is O=C(O)C=CC(=O)O.O=C([O-])C=CC(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;but-2-enedioate;but-2-enedioic acid?
The InChIKey is GGMNADCNNHRCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4O4.2H3N/c2*5-3(6)1-2-4(7)8;;/h2*1-2H,(H,5,6)(H,7,8);2*1H3.
What are the key properties of diazanium;but-2-enedioate;but-2-enedioic acid?
diazanium;but-2-enedioate;but-2-enedioic acid has a molecular weight of 266.21 g/mol, XLogP of -2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;but-2-enedioate;but-2-enedioic acid is sourced from PubChem (CID 158249134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).