ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate

C11H23NO5 — CID 54937780

IUPACethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate
SMILESCCOCCOCC(O)CNCC(=O)OCC
InChIInChI=1S/C11H23NO5/c1-3-15-5-6-16-9-10(13)7-12-8-11(14)17-4-2/h10,12-13H,3-9H2,1-2H3
InChIKeyZSEDFLBQCOLBHN-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.45
Rot. Bonds11

About ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate

ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate (PubChem CID 54937780) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate
PubChem CID54937780
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Nameethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate
SMILESCCOCCOCC(O)CNCC(=O)OCC
InChIInChI=1S/C11H23NO5/c1-3-15-5-6-16-9-10(13)7-12-8-11(14)17-4-2/h10,12-13H,3-9H2,1-2H3
InChIKeyZSEDFLBQCOLBHN-UHFFFAOYSA-N
XLogP-0.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate (CID 54937780) is ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate is CCOCCOCC(O)CNCC(=O)OCC.
What is the InChIKey of ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate?
The InChIKey is ZSEDFLBQCOLBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-3-15-5-6-16-9-10(13)7-12-8-11(14)17-4-2/h10,12-13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate?
ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate has a molecular weight of 249.31 g/mol, XLogP of -0.45, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]acetate is sourced from PubChem (CID 54937780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).