methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate

C11H21NO4 — CID 103265909

IUPACmethyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate
SMILESCOCCOCCCCN/C=C/C(=O)OC
InChIInChI=1S/C11H21NO4/c1-14-9-10-16-8-4-3-6-12-7-5-11(13)15-2/h5,7,12H,3-4,6,8-10H2,1-2H3/b7-5+
InChIKeyUWCWCNIGIWAFHJ-FNORWQNLSA-N
MW231.29 g/mol
LogP0.71
Rot. Bonds10

About methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate

methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate (PubChem CID 103265909) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate
PubChem CID103265909
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate
SMILESCOCCOCCCCN/C=C/C(=O)OC
InChIInChI=1S/C11H21NO4/c1-14-9-10-16-8-4-3-6-12-7-5-11(13)15-2/h5,7,12H,3-4,6,8-10H2,1-2H3/b7-5+
InChIKeyUWCWCNIGIWAFHJ-FNORWQNLSA-N
XLogP0.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.71
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 (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate
CID 159027535
methyl (E)-3-(5,5,5-trifluoropentylamino)prop-2-enoate
CID 103262037
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1,1,1-trifluoro-4-(3-methoxypropylamino)but-3-en-2-one
CID 73397001
1,8-bis(2-methoxyethoxy)octane
CID 143118909
methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate
CID 103265522
(E)-3-[3-(2-hydroxyethoxy)propylamino]prop-2-enoic acid
CID 106305455
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
6-[2-(2-methoxyethoxy)ethoxy]hexanal
CID 58413687
13-(2-methoxyethoxy)tridecyl formate
CID 87852732
6-[3-(2-methoxyethoxy)propoxy]-N-methylhexan-1-amine
CID 103406579
N-[4-(3-methoxypropoxy)butyl]acetamide
CID 134356384

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate (CID 103265909) is methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate is COCCOCCCCN/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate?
The InChIKey is UWCWCNIGIWAFHJ-FNORWQNLSA-N. The full InChI is InChI=1S/C11H21NO4/c1-14-9-10-16-8-4-3-6-12-7-5-11(13)15-2/h5,7,12H,3-4,6,8-10H2,1-2H3/b7-5+.
What are the key properties of methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate?
methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate has a molecular weight of 231.29 g/mol, XLogP of 0.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(2-methoxyethoxy)butylamino]prop-2-enoate is sourced from PubChem (CID 103265909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).