(Z)-but-2-enedioate;bis(2-hydroxyethylazanium)

C8H18N2O6 — CID 87903958

IUPAC(Z)-but-2-enedioate;bis(2-hydroxyethylazanium)
SMILESO=C([O-])/C=C\C(=O)[O-].[NH3+]CCO.[NH3+]CCO
InChIInChI=1S/C4H4O4.2C2H7NO/c5-3(6)1-2-4(7)8;2*3-1-2-4/h1-2H,(H,5,6)(H,7,8);2*4H,1-3H2/b2-1-;;
InChIKeyURAGBHBCZCBDNV-UAIGNFCESA-N
MW238.24 g/mol
LogP-6.52
Rot. Bonds4

About (Z)-but-2-enedioate;bis(2-hydroxyethylazanium)

(Z)-but-2-enedioate;bis(2-hydroxyethylazanium) (PubChem CID 87903958) has the molecular formula C8H18N2O6 and a molecular weight of 238.24 g/mol. Its IUPAC name is (Z)-but-2-enedioate;bis(2-hydroxyethylazanium).

Molecular Properties

Compound Name(Z)-but-2-enedioate;bis(2-hydroxyethylazanium)
PubChem CID87903958
Molecular FormulaC8H18N2O6
Molecular Weight238.24 g/mol
Exact Mass238.12
IUPAC Name(Z)-but-2-enedioate;bis(2-hydroxyethylazanium)
SMILESO=C([O-])/C=C\C(=O)[O-].[NH3+]CCO.[NH3+]CCO
InChIInChI=1S/C4H4O4.2C2H7NO/c5-3(6)1-2-4(7)8;2*3-1-2-4/h1-2H,(H,5,6)(H,7,8);2*4H,1-3H2/b2-1-;;
InChIKeyURAGBHBCZCBDNV-UAIGNFCESA-N
XLogP-6.52
TPSA176.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-6.52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioate;bis(2-hydroxyethylazanium)?
The IUPAC name of (Z)-but-2-enedioate;bis(2-hydroxyethylazanium) (CID 87903958) is (Z)-but-2-enedioate;bis(2-hydroxyethylazanium).
What is the SMILES notation for (Z)-but-2-enedioate;bis(2-hydroxyethylazanium)?
The canonical SMILES for (Z)-but-2-enedioate;bis(2-hydroxyethylazanium) is O=C([O-])/C=C\C(=O)[O-].[NH3+]CCO.[NH3+]CCO.
What is the InChIKey of (Z)-but-2-enedioate;bis(2-hydroxyethylazanium)?
The InChIKey is URAGBHBCZCBDNV-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.2C2H7NO/c5-3(6)1-2-4(7)8;2*3-1-2-4/h1-2H,(H,5,6)(H,7,8);2*4H,1-3H2/b2-1-;;.
What are the key properties of (Z)-but-2-enedioate;bis(2-hydroxyethylazanium)?
(Z)-but-2-enedioate;bis(2-hydroxyethylazanium) has a molecular weight of 238.24 g/mol, XLogP of -6.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioate;bis(2-hydroxyethylazanium) is sourced from PubChem (CID 87903958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).