methyl 2-[2-(2-azidoethoxy)ethoxy]acetate

C7H13N3O4 — CID 16723228

IUPACmethyl 2-[2-(2-azidoethoxy)ethoxy]acetate
SMILESCOC(=O)COCCOCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3O4/c1-12-7(11)6-14-5-4-13-3-2-9-10-8/h2-6H2,1H3
InChIKeyPOTKFKYTYYJXHI-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.50
Rot. Bonds8

About methyl 2-[2-(2-azidoethoxy)ethoxy]acetate

methyl 2-[2-(2-azidoethoxy)ethoxy]acetate (PubChem CID 16723228) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 2-[2-(2-azidoethoxy)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-azidoethoxy)ethoxy]acetate
PubChem CID16723228
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Namemethyl 2-[2-(2-azidoethoxy)ethoxy]acetate
SMILESCOC(=O)COCCOCCN=[N+]=[N-]
InChIInChI=1S/C7H13N3O4/c1-12-7(11)6-14-5-4-13-3-2-9-10-8/h2-6H2,1H3
InChIKeyPOTKFKYTYYJXHI-UHFFFAOYSA-N
XLogP0.50
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide
CID 158766699
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetate
CID 121235813
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
CID 166868754
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-azidoethoxy)ethoxy]acetate?
The IUPAC name of methyl 2-[2-(2-azidoethoxy)ethoxy]acetate (CID 16723228) is methyl 2-[2-(2-azidoethoxy)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-(2-azidoethoxy)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-(2-azidoethoxy)ethoxy]acetate is COC(=O)COCCOCCN=[N+]=[N-].
What is the InChIKey of methyl 2-[2-(2-azidoethoxy)ethoxy]acetate?
The InChIKey is POTKFKYTYYJXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-12-7(11)6-14-5-4-13-3-2-9-10-8/h2-6H2,1H3.
What are the key properties of methyl 2-[2-(2-azidoethoxy)ethoxy]acetate?
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate has a molecular weight of 203.20 g/mol, XLogP of 0.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-azidoethoxy)ethoxy]acetate is sourced from PubChem (CID 16723228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).