4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid

C11H18N2O4 — CID 83095426

IUPAC4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid
SMILESCCC(=CCN1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-2-8(11(15)16)3-4-13-5-6-17-7-9(13)10(12)14/h3,9H,2,4-7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyCSUJQLBHUVJPDJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.41
Rot. Bonds5

About 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid

4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid (PubChem CID 83095426) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid
PubChem CID83095426
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid
SMILESCCC(=CCN1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-2-8(11(15)16)3-4-13-5-6-17-7-9(13)10(12)14/h3,9H,2,4-7H2,1H3,(H2,12,14)(H,15,16)
InChIKeyCSUJQLBHUVJPDJ-UHFFFAOYSA-N
XLogP-0.41
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-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 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid?
The IUPAC name of 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid (CID 83095426) is 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid.
What is the SMILES notation for 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid?
The canonical SMILES for 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid is CCC(=CCN1CCOCC1C(N)=O)C(=O)O.
What is the InChIKey of 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid?
The InChIKey is CSUJQLBHUVJPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-8(11(15)16)3-4-13-5-6-17-7-9(13)10(12)14/h3,9H,2,4-7H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid?
4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoylmorpholin-4-yl)-2-ethylbut-2-enoic acid is sourced from PubChem (CID 83095426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).