(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol

C8H15NO6 — CID 6441765

IUPAC(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol
SMILESO=C(O)/C=C\C(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.C4H4O4/c6-3-1-5-2-4-7;5-3(6)1-2-4(7)8/h5-7H,1-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyXFPBYAYVIIVRTQ-BTJKTKAUSA-N
MW221.21 g/mol
LogP-1.73
Rot. Bonds6

About (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol

(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol (PubChem CID 6441765) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol
PubChem CID6441765
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol
SMILESO=C(O)/C=C\C(=O)O.OCCNCCO
InChIInChI=1S/C4H11NO2.C4H4O4/c6-3-1-5-2-4-7;5-3(6)1-2-4(7)8/h5-7H,1-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyXFPBYAYVIIVRTQ-BTJKTKAUSA-N
XLogP-1.73
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol (CID 6441765) is (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol is O=C(O)/C=C\C(=O)O.OCCNCCO.
What is the InChIKey of (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol?
The InChIKey is XFPBYAYVIIVRTQ-BTJKTKAUSA-N. The full InChI is InChI=1S/C4H11NO2.C4H4O4/c6-3-1-5-2-4-7;5-3(6)1-2-4(7)8/h5-7H,1-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol?
(Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol has a molecular weight of 221.21 g/mol, XLogP of -1.73, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 6441765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).