(E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid

C10H15NO4 — CID 16771565

IUPAC(E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid
SMILESCC1CN(C(=O)/C=C/C(=O)O)CC(C)O1
InChIInChI=1S/C10H15NO4/c1-7-5-11(6-8(2)15-7)9(12)3-4-10(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/b4-3+
InChIKeyCPPSOOSNBIBHDK-ONEGZZNKSA-N
MW213.23 g/mol
LogP0.26
Rot. Bonds2

About (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid

(E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid (PubChem CID 16771565) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid
PubChem CID16771565
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid
SMILESCC1CN(C(=O)/C=C/C(=O)O)CC(C)O1
InChIInChI=1S/C10H15NO4/c1-7-5-11(6-8(2)15-7)9(12)3-4-10(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/b4-3+
InChIKeyCPPSOOSNBIBHDK-ONEGZZNKSA-N
XLogP0.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-(2,6-dimethylmorpholin-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-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid (CID 16771565) is (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid is CC1CN(C(=O)/C=C/C(=O)O)CC(C)O1.
What is the InChIKey of (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid?
The InChIKey is CPPSOOSNBIBHDK-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15NO4/c1-7-5-11(6-8(2)15-7)9(12)3-4-10(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid?
(E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,6-dimethylmorpholin-4-yl)-4-oxobut-2-enoic acid is sourced from PubChem (CID 16771565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).