ethyl 2-[2-(ethoxyamino)ethoxy]acetate

C8H17NO4 — CID 103254485

IUPACethyl 2-[2-(ethoxyamino)ethoxy]acetate
SMILESCCONCCOCC(=O)OCC
InChIInChI=1S/C8H17NO4/c1-3-12-8(10)7-11-6-5-9-13-4-2/h9H,3-7H2,1-2H3
InChIKeyIBBRUGKNVQYQAU-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.11
Rot. Bonds8

About ethyl 2-[2-(ethoxyamino)ethoxy]acetate

ethyl 2-[2-(ethoxyamino)ethoxy]acetate (PubChem CID 103254485) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl 2-[2-(ethoxyamino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(ethoxyamino)ethoxy]acetate
PubChem CID103254485
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Nameethyl 2-[2-(ethoxyamino)ethoxy]acetate
SMILESCCONCCOCC(=O)OCC
InChIInChI=1S/C8H17NO4/c1-3-12-8(10)7-11-6-5-9-13-4-2/h9H,3-7H2,1-2H3
InChIKeyIBBRUGKNVQYQAU-UHFFFAOYSA-N
XLogP0.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(ethoxyamino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(ethoxyamino)ethoxy]acetate (CID 103254485) is ethyl 2-[2-(ethoxyamino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(ethoxyamino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(ethoxyamino)ethoxy]acetate is CCONCCOCC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(ethoxyamino)ethoxy]acetate?
The InChIKey is IBBRUGKNVQYQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-3-12-8(10)7-11-6-5-9-13-4-2/h9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(ethoxyamino)ethoxy]acetate?
ethyl 2-[2-(ethoxyamino)ethoxy]acetate has a molecular weight of 191.23 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(ethoxyamino)ethoxy]acetate is sourced from PubChem (CID 103254485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).