(Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium

C10H18NO7- — CID 139594142

IUPAC(Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium
SMILESO=C([O-])/C=C\C(=O)[O-].OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C4H4O4/c8-4-1-7(2-5-9)3-6-10;5-3(6)1-2-4(7)8/h8-10H,1-6H2;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1-
InChIKeyAFNWOEJOULWFIS-BTJKTKAUSA-M
MW264.25 g/mol
LogP-6.11
Rot. Bonds8

About (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium

(Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium (PubChem CID 139594142) has the molecular formula C10H18NO7- and a molecular weight of 264.25 g/mol. Its IUPAC name is (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name(Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium
PubChem CID139594142
Molecular FormulaC10H18NO7-
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name(Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium
SMILESO=C([O-])/C=C\C(=O)[O-].OCC[NH+](CCO)CCO
InChIInChI=1S/C6H15NO3.C4H4O4/c8-4-1-7(2-5-9)3-6-10;5-3(6)1-2-4(7)8/h8-10H,1-6H2;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1-
InChIKeyAFNWOEJOULWFIS-BTJKTKAUSA-M
XLogP-6.11
TPSA145.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 5-6.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-Propanol, 2-(dimethylamino)-2-methyl-, (2Z)-2-butenedioate (1:1)
CID 90474710
Tris(2-hydroxyethyl)ammonium hydrogen maleate
CID 6451725
(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol
CID 6441765
2-(2-Hydroxyethylamino)ethanol;prop-2-enoic acid
CID 21666885
Choline maleate
CID 87376612
Hydroxyethylammonium maleate
CID 87903958
bis(2-hydroxyethyl)azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
CID 170987510
2-(2-Hydroxyethylamino)ethanol;methyl prop-2-enoate
CID 174702275
Bis(2-hydroxyethyl)ammonium hydrogen maleate
CID 6452295
2-[bis(2-hydroxyethyl)amino]ethanol;(E)-but-2-enedioic acid
CID 23431539
Ethanol, 2,2a(2)-iminobis-, (2Z)-2-butenedioate (2:1) (salt)
CID 87904222
Tris(2-hydroxyethyl)ammonium hydrogen (E,E)-hexa-2,4-dienedioate
CID 44147318

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium?
The IUPAC name of (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium (CID 139594142) is (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium.
What is the SMILES notation for (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium?
The canonical SMILES for (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium is O=C([O-])/C=C\C(=O)[O-].OCC[NH+](CCO)CCO.
What is the InChIKey of (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium?
The InChIKey is AFNWOEJOULWFIS-BTJKTKAUSA-M. The full InChI is InChI=1S/C6H15NO3.C4H4O4/c8-4-1-7(2-5-9)3-6-10;5-3(6)1-2-4(7)8/h8-10H,1-6H2;1-2H,(H,5,6)(H,7,8)/p-1/b;2-1-.
What are the key properties of (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium?
(Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium has a molecular weight of 264.25 g/mol, XLogP of -6.11, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioate;tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 139594142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).