2-ethoxyethyl 3-(methylaminooxy)propanoate

C8H17NO4 — CID 166833055

IUPAC2-ethoxyethyl 3-(methylaminooxy)propanoate
SMILESCCOCCOC(=O)CCONC
InChIInChI=1S/C8H17NO4/c1-3-11-6-7-12-8(10)4-5-13-9-2/h9H,3-7H2,1-2H3
InChIKeyZDTHRQXUJYOBHJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.11
Rot. Bonds8

About 2-ethoxyethyl 3-(methylaminooxy)propanoate

2-ethoxyethyl 3-(methylaminooxy)propanoate (PubChem CID 166833055) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-ethoxyethyl 3-(methylaminooxy)propanoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-(methylaminooxy)propanoate
PubChem CID166833055
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-ethoxyethyl 3-(methylaminooxy)propanoate
SMILESCCOCCOC(=O)CCONC
InChIInChI=1S/C8H17NO4/c1-3-11-6-7-12-8(10)4-5-13-9-2/h9H,3-7H2,1-2H3
InChIKeyZDTHRQXUJYOBHJ-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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Related Compounds

bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-ethoxyethyl 4-oxopentanoate
CID 22556205
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
hydrazinyl 3-(2-ethoxyethoxy)propanoate
CID 66338748
2-ethoxyethyl 3-(tert-butylamino)propanoate
CID 61277005
4-O-[3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxy-2,2-bis[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] butanedioate
CID 88853370
4-O-(2-ethoxyethyl) 1-O-octyl butanedioate
CID 91701867
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
CID 150033358
2-ethoxyethyl pent-4-ynoate
CID 82363239
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
CID 65285025

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 3-(methylaminooxy)propanoate?
The IUPAC name of 2-ethoxyethyl 3-(methylaminooxy)propanoate (CID 166833055) is 2-ethoxyethyl 3-(methylaminooxy)propanoate.
What is the SMILES notation for 2-ethoxyethyl 3-(methylaminooxy)propanoate?
The canonical SMILES for 2-ethoxyethyl 3-(methylaminooxy)propanoate is CCOCCOC(=O)CCONC.
What is the InChIKey of 2-ethoxyethyl 3-(methylaminooxy)propanoate?
The InChIKey is ZDTHRQXUJYOBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-3-11-6-7-12-8(10)4-5-13-9-2/h9H,3-7H2,1-2H3.
What are the key properties of 2-ethoxyethyl 3-(methylaminooxy)propanoate?
2-ethoxyethyl 3-(methylaminooxy)propanoate 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 2-ethoxyethyl 3-(methylaminooxy)propanoate is sourced from PubChem (CID 166833055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).