methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate

C13H24N2O3 — CID 103235766

IUPACmethyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate
SMILESCCC(=CCNCCN1CCOCC1)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-3-12(13(16)17-2)4-5-14-6-7-15-8-10-18-11-9-15/h4,14H,3,5-11H2,1-2H3
InChIKeyPBUXFUPZMYFGOM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.42
Rot. Bonds7

About methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate

methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate (PubChem CID 103235766) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate
PubChem CID103235766
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate
SMILESCCC(=CCNCCN1CCOCC1)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-3-12(13(16)17-2)4-5-14-6-7-15-8-10-18-11-9-15/h4,14H,3,5-11H2,1-2H3
InChIKeyPBUXFUPZMYFGOM-UHFFFAOYSA-N
XLogP0.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

Methyl 4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethylbut-2-enoate
CID 105917489
Methyl 2-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]but-2-enoate
CID 113794192
2-(Methylamino)ethyl 2-ethylpent-2-enoate
CID 88709910
ethyl (2E)-2-[(Z)-3-piperazin-1-ylprop-1-enyl]penta-2,4-dienoate
CID 126695244
ethyl (E)-2-methyl-3-morpholin-2-ylprop-2-enoate
CID 144930163
ethane;ethyl (2E)-2-[(Z)-3-piperazin-1-ylprop-1-enyl]penta-2,4-dienoate
CID 145271464
methyl (E)-2-methyl-3-morpholin-3-ylprop-2-enoate
CID 146609427
2-[2-(2-acetyloxyethylamino)ethylamino]ethyl (Z)-2-methylpent-2-enoate
CID 163864906
2-(Dimethylamino)ethyl 5-amino-2-methylpent-2-enoate
CID 174370421
Ethyl 2-methyl-3-morpholin-2-ylprop-2-enoate
CID 175081118
Methyl 2-ethyl-4-(3-oxopiperazin-1-yl)but-2-enoate
CID 77100749
Methyl 2-ethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]but-2-enoate
CID 77100759

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate (CID 103235766) is methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate is CCC(=CCNCCN1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate?
The InChIKey is PBUXFUPZMYFGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-12(13(16)17-2)4-5-14-6-7-15-8-10-18-11-9-15/h4,14H,3,5-11H2,1-2H3.
What are the key properties of methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate?
methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate has a molecular weight of 256.35 g/mol, XLogP of 0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate is sourced from PubChem (CID 103235766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).