methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate

C10H19NO4 — CID 159027535

IUPACmethyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate
SMILESCCOCCOCCN/C=C/C(=O)OC
InChIInChI=1S/C10H19NO4/c1-3-14-8-9-15-7-6-11-5-4-10(12)13-2/h4-5,11H,3,6-9H2,1-2H3/b5-4+
InChIKeyBCOBWCVICNSBNO-SNAWJCMRSA-N
MW217.26 g/mol
LogP0.32
Rot. Bonds9

About methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate

methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate (PubChem CID 159027535) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate
PubChem CID159027535
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate
SMILESCCOCCOCCN/C=C/C(=O)OC
InChIInChI=1S/C10H19NO4/c1-3-14-8-9-15-7-6-11-5-4-10(12)13-2/h4-5,11H,3,6-9H2,1-2H3/b5-4+
InChIKeyBCOBWCVICNSBNO-SNAWJCMRSA-N
XLogP0.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.32
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-[4-(2-methoxyethoxy)butylamino]prop-2-enoate
CID 103265909
2-(2-ethoxyethoxy)ethanol;methyl prop-2-enoate
CID 159658370
methyl (E)-3-(ethoxyamino)prop-2-enoate
CID 103254517
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
methyl (E)-3-(5,5,5-trifluoropentylamino)prop-2-enoate
CID 103262037
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate
CID 103265522
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
methyl (E)-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]prop-2-enoate
CID 103263221
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
CID 169190202
CID 169190202

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate (CID 159027535) is methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate is CCOCCOCCN/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate?
The InChIKey is BCOBWCVICNSBNO-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-14-8-9-15-7-6-11-5-4-10(12)13-2/h4-5,11H,3,6-9H2,1-2H3/b5-4+.
What are the key properties of methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate?
methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate has a molecular weight of 217.26 g/mol, XLogP of 0.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoate is sourced from PubChem (CID 159027535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).