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

C11H20N2O3 — CID 103261045

IUPACmethyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate
SMILESCCC(=CCNN1CCOCC1)C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-10(11(14)15-2)4-5-12-13-6-8-16-9-7-13/h4,12H,3,5-9H2,1-2H3
InChIKeyVKVUSCKXSAUXMP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.33
Rot. Bonds5

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

methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate (PubChem CID 103261045) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate
PubChem CID103261045
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate
SMILESCCC(=CCNN1CCOCC1)C(=O)OC
InChIInChI=1S/C11H20N2O3/c1-3-10(11(14)15-2)4-5-12-13-6-8-16-9-7-13/h4,12H,3,5-9H2,1-2H3
InChIKeyVKVUSCKXSAUXMP-UHFFFAOYSA-N
XLogP0.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate
CID 83021172
methyl (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoate
CID 103230107
Methyl 2-ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoate
CID 103235766
Methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate
CID 103237316
methyl (Z)-4-(2-butoxyethylamino)-2-ethylbut-2-enoate
CID 103242717
Methyl 4-(2,2-dimethylhydrazinyl)-2-ethylbut-2-enoate
CID 103260991
2-Ethyl-4-(morpholin-4-ylamino)but-2-enoic acid
CID 103261053
Methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate
CID 103261073
Methyl 2-ethyl-4-(piperidin-1-ylamino)but-2-enoate
CID 103261178
Methyl 2-ethyl-4-[(4-methylpiperazin-1-yl)amino]but-2-enoate
CID 103261232
methyl (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoate
CID 103267259
Methyl 2-ethyl-4-[2-(2-methylprop-2-enoxy)ethylamino]but-2-enoate
CID 103268617

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate (CID 103261045) is methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate is CCC(=CCNN1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate?
The InChIKey is VKVUSCKXSAUXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-10(11(14)15-2)4-5-12-13-6-8-16-9-7-13/h4,12H,3,5-9H2,1-2H3.
What are the key properties of methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate?
methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate is sourced from PubChem (CID 103261045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).