(E)-4-morpholin-4-yl-4-oxobut-2-enoic acid

C8H11NO4 — CID 676533

IUPAC(E)-4-morpholin-4-yl-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C8H11NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-2H,3-6H2,(H,11,12)/b2-1+
InChIKeyFCTFTKXWJQFGLI-OWOJBTEDSA-N
MW185.18 g/mol
LogP-0.51
Rot. Bonds2

About (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid

(E)-4-morpholin-4-yl-4-oxobut-2-enoic acid (PubChem CID 676533) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-morpholin-4-yl-4-oxobut-2-enoic acid
PubChem CID676533
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(E)-4-morpholin-4-yl-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C8H11NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-2H,3-6H2,(H,11,12)/b2-1+
InChIKeyFCTFTKXWJQFGLI-OWOJBTEDSA-N
XLogP-0.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid (CID 676533) is (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid is O=C(O)/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid?
The InChIKey is FCTFTKXWJQFGLI-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H11NO4/c10-7(1-2-8(11)12)9-3-5-13-6-4-9/h1-2H,3-6H2,(H,11,12)/b2-1+.
What are the key properties of (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid?
(E)-4-morpholin-4-yl-4-oxobut-2-enoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-morpholin-4-yl-4-oxobut-2-enoic acid is sourced from PubChem (CID 676533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).