ethyl 3-(ethylamino)but-2-enoate;morpholine

C12H24N2O3 — CID 70514662

IUPACethyl 3-(ethylamino)but-2-enoate;morpholine
SMILESC1COCCN1.CCNC(C)=CC(=O)OCC
InChIInChI=1S/C8H15NO2.C4H9NO/c1-4-9-7(3)6-8(10)11-5-2;1-3-6-4-2-5-1/h6,9H,4-5H2,1-3H3;5H,1-4H2
InChIKeyXNSPHVCROSNQFN-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.67
Rot. Bonds4

About ethyl 3-(ethylamino)but-2-enoate;morpholine

ethyl 3-(ethylamino)but-2-enoate;morpholine (PubChem CID 70514662) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 3-(ethylamino)but-2-enoate;morpholine.

Molecular Properties

Compound Nameethyl 3-(ethylamino)but-2-enoate;morpholine
PubChem CID70514662
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 3-(ethylamino)but-2-enoate;morpholine
SMILESC1COCCN1.CCNC(C)=CC(=O)OCC
InChIInChI=1S/C8H15NO2.C4H9NO/c1-4-9-7(3)6-8(10)11-5-2;1-3-6-4-2-5-1/h6,9H,4-5H2,1-3H3;5H,1-4H2
InChIKeyXNSPHVCROSNQFN-UHFFFAOYSA-N
XLogP0.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-(ethylamino)but-2-enoate;morpholine 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 ethyl 3-(ethylamino)but-2-enoate;morpholine?
The IUPAC name of ethyl 3-(ethylamino)but-2-enoate;morpholine (CID 70514662) is ethyl 3-(ethylamino)but-2-enoate;morpholine.
What is the SMILES notation for ethyl 3-(ethylamino)but-2-enoate;morpholine?
The canonical SMILES for ethyl 3-(ethylamino)but-2-enoate;morpholine is C1COCCN1.CCNC(C)=CC(=O)OCC.
What is the InChIKey of ethyl 3-(ethylamino)but-2-enoate;morpholine?
The InChIKey is XNSPHVCROSNQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C4H9NO/c1-4-9-7(3)6-8(10)11-5-2;1-3-6-4-2-5-1/h6,9H,4-5H2,1-3H3;5H,1-4H2.
What are the key properties of ethyl 3-(ethylamino)but-2-enoate;morpholine?
ethyl 3-(ethylamino)but-2-enoate;morpholine has a molecular weight of 244.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)but-2-enoate;morpholine is sourced from PubChem (CID 70514662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).