(Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid

C8H13NO5 — CID 144780874

IUPAC(Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCOCCO
InChIInChI=1S/C8H13NO5/c10-4-6-14-5-3-9-7(11)1-2-8(12)13/h1-2,10H,3-6H2,(H,9,11)(H,12,13)/b2-1-
InChIKeyWFYPLZTWNTVXSP-UPHRSURJSA-N
MW203.19 g/mol
LogP-1.25
Rot. Bonds7

About (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid

(Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid (PubChem CID 144780874) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid
PubChem CID144780874
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)NCCOCCO
InChIInChI=1S/C8H13NO5/c10-4-6-14-5-3-9-7(11)1-2-8(12)13/h1-2,10H,3-6H2,(H,9,11)(H,12,13)/b2-1-
InChIKeyWFYPLZTWNTVXSP-UPHRSURJSA-N
XLogP-1.25
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid (CID 144780874) is (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)NCCOCCO.
What is the InChIKey of (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid?
The InChIKey is WFYPLZTWNTVXSP-UPHRSURJSA-N. The full InChI is InChI=1S/C8H13NO5/c10-4-6-14-5-3-9-7(11)1-2-8(12)13/h1-2,10H,3-6H2,(H,9,11)(H,12,13)/b2-1-.
What are the key properties of (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid?
(Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid has a molecular weight of 203.19 g/mol, XLogP of -1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 144780874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).