methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate

C14H26N2O3 — CID 103237316

IUPACmethyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate
SMILESCCC(=CCNCCCN1CCOCC1)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-3-13(14(17)18-2)5-7-15-6-4-8-16-9-11-19-12-10-16/h5,15H,3-4,6-12H2,1-2H3
InChIKeyWDKOZTNXVQNIKT-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.81
Rot. Bonds8

About methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate

methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate (PubChem CID 103237316) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate
PubChem CID103237316
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate
SMILESCCC(=CCNCCCN1CCOCC1)C(=O)OC
InChIInChI=1S/C14H26N2O3/c1-3-13(14(17)18-2)5-7-15-6-4-8-16-9-11-19-12-10-16/h5,15H,3-4,6-12H2,1-2H3
InChIKeyWDKOZTNXVQNIKT-UHFFFAOYSA-N
XLogP0.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate (CID 103237316) is methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate is CCC(=CCNCCCN1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate?
The InChIKey is WDKOZTNXVQNIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-13(14(17)18-2)5-7-15-6-4-8-16-9-11-19-12-10-16/h5,15H,3-4,6-12H2,1-2H3.
What are the key properties of methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate?
methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(3-morpholin-4-ylpropylamino)but-2-enoate is sourced from PubChem (CID 103237316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).