2-(2-aminooxyethoxy)ethyl 2-diazoacetate

C6H11N3O4 — CID 102015965

IUPAC2-(2-aminooxyethoxy)ethyl 2-diazoacetate
SMILES[N-]=[N+]=CC(=O)OCCOCCON
InChIInChI=1S/C6H11N3O4/c7-9-5-6(10)12-3-1-11-2-4-13-8/h5H,1-4,8H2
InChIKeyJRQZUTKEKAHDGX-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.26
Rot. Bonds7

About 2-(2-aminooxyethoxy)ethyl 2-diazoacetate

2-(2-aminooxyethoxy)ethyl 2-diazoacetate (PubChem CID 102015965) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-(2-aminooxyethoxy)ethyl 2-diazoacetate.

Molecular Properties

Compound Name2-(2-aminooxyethoxy)ethyl 2-diazoacetate
PubChem CID102015965
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-(2-aminooxyethoxy)ethyl 2-diazoacetate
SMILES[N-]=[N+]=CC(=O)OCCOCCON
InChIInChI=1S/C6H11N3O4/c7-9-5-6(10)12-3-1-11-2-4-13-8/h5H,1-4,8H2
InChIKeyJRQZUTKEKAHDGX-UHFFFAOYSA-N
XLogP-1.26
TPSA107.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-diazoacetyl)oxyethyl 2-diazoacetate
CID 102499938
2-[2-[[2-[2-[2-(2-diazoacetyl)oxyethoxy]ethoxymethyl]cyclohexyl]methoxy]ethoxy]ethyl 2-diazoacetate
CID 122212646
2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate
CID 101049735
2-trimethylsilylethyl 2-diazoacetate
CID 123321469
2-(2-diazoacetyl)oxyethyl-trimethylazanium bromide
CID 71436825
2,2,2-trichloroethyl 2-diazoacetate
CID 71400363
[(2E,4E)-6-(2-diazoacetyl)oxyhexa-2,4-dienyl] 2-diazoacetate
CID 101372875
2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl 2-methylpropanoate
CID 118600993
(3-oxo-3-phenylpropyl) 2-diazoacetate
CID 158194647
2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate
CID 132528499
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate
CID 54570646

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethoxy)ethyl 2-diazoacetate?
The IUPAC name of 2-(2-aminooxyethoxy)ethyl 2-diazoacetate (CID 102015965) is 2-(2-aminooxyethoxy)ethyl 2-diazoacetate.
What is the SMILES notation for 2-(2-aminooxyethoxy)ethyl 2-diazoacetate?
The canonical SMILES for 2-(2-aminooxyethoxy)ethyl 2-diazoacetate is [N-]=[N+]=CC(=O)OCCOCCON.
What is the InChIKey of 2-(2-aminooxyethoxy)ethyl 2-diazoacetate?
The InChIKey is JRQZUTKEKAHDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-9-5-6(10)12-3-1-11-2-4-13-8/h5H,1-4,8H2.
What are the key properties of 2-(2-aminooxyethoxy)ethyl 2-diazoacetate?
2-(2-aminooxyethoxy)ethyl 2-diazoacetate has a molecular weight of 189.17 g/mol, XLogP of -1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethoxy)ethyl 2-diazoacetate is sourced from PubChem (CID 102015965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).