methyl 3-(2-morpholin-4-ylethylimino)butanoate

C11H20N2O3 — CID 57318901

IUPACmethyl 3-(2-morpholin-4-ylethylimino)butanoate
SMILESCOC(=O)C/C(C)=N/CCN1CCOCC1
InChIInChI=1S/C11H20N2O3/c1-10(9-11(14)15-2)12-3-4-13-5-7-16-8-6-13/h3-9H2,1-2H3/b12-10+
InChIKeyLGJWMYFEGCROLM-ZRDIBKRKSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds5

About methyl 3-(2-morpholin-4-ylethylimino)butanoate

methyl 3-(2-morpholin-4-ylethylimino)butanoate (PubChem CID 57318901) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-(2-morpholin-4-ylethylimino)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-morpholin-4-ylethylimino)butanoate
PubChem CID57318901
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-(2-morpholin-4-ylethylimino)butanoate
SMILESCOC(=O)C/C(C)=N/CCN1CCOCC1
InChIInChI=1S/C11H20N2O3/c1-10(9-11(14)15-2)12-3-4-13-5-7-16-8-6-13/h3-9H2,1-2H3/b12-10+
InChIKeyLGJWMYFEGCROLM-ZRDIBKRKSA-N
XLogP0.34
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4,4-difluoro-3-morpholin-4-ium-4-ylidenebutanoate
CID 175561739
Ethyl 3-morpholin-4-yliminobutanoate
CID 53659777
2-(Diethylamino)ethyl 3-iminobutanoate
CID 53672453
Ethyl 3-(2-morpholin-4-ylethylimino)butanoate
CID 53917045
Methyl 3-morpholin-4-yliminobutanoate
CID 53934099
2-Piperazin-1-ylethyl 3-iminobutanoate
CID 54131239
2-Morpholin-4-ylethyl 3-iminobutanoate
CID 54312369
Ethyl 3-[2-(dimethylamino)ethylimino]butanoate
CID 88564741
Propyl 3-[2-(dimethylamino)ethylimino]butanoate
CID 88564742
ethyl (3E)-3-morpholin-4-yliminobutanoate
CID 88845773
Ethane;2-(4-methylpiperazin-1-yl)ethyl butanoate
CID 171077163
2-[(4-Ethoxy-4-oxobutan-2-ylidene)amino]ethyl-trimethylazanium
CID 7335971

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-morpholin-4-ylethylimino)butanoate?
The IUPAC name of methyl 3-(2-morpholin-4-ylethylimino)butanoate (CID 57318901) is methyl 3-(2-morpholin-4-ylethylimino)butanoate.
What is the SMILES notation for methyl 3-(2-morpholin-4-ylethylimino)butanoate?
The canonical SMILES for methyl 3-(2-morpholin-4-ylethylimino)butanoate is COC(=O)C/C(C)=N/CCN1CCOCC1.
What is the InChIKey of methyl 3-(2-morpholin-4-ylethylimino)butanoate?
The InChIKey is LGJWMYFEGCROLM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(9-11(14)15-2)12-3-4-13-5-7-16-8-6-13/h3-9H2,1-2H3/b12-10+.
What are the key properties of methyl 3-(2-morpholin-4-ylethylimino)butanoate?
methyl 3-(2-morpholin-4-ylethylimino)butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-morpholin-4-ylethylimino)butanoate is sourced from PubChem (CID 57318901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).