2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid

C12H24N4O6 — CID 166868754

IUPAC2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
SMILES[N-]=[N+]=NCCOCCOCCOCCNCCOCC(=O)O
InChIInChI=1S/C12H24N4O6/c13-16-15-3-6-20-8-10-21-9-7-19-4-1-14-2-5-22-11-12(17)18/h14H,1-11H2,(H,17,18)
InChIKeyMDVUISQNLCZFKX-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.04
Rot. Bonds17

About 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid

2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid (PubChem CID 166868754) has the molecular formula C12H24N4O6 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
PubChem CID166868754
Molecular FormulaC12H24N4O6
Molecular Weight320.35 g/mol
Exact Mass320.17
IUPAC Name2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
SMILES[N-]=[N+]=NCCOCCOCCOCCNCCOCC(=O)O
InChIInChI=1S/C12H24N4O6/c13-16-15-3-6-20-8-10-21-9-7-19-4-1-14-2-5-22-11-12(17)18/h14H,1-11H2,(H,17,18)
InChIKeyMDVUISQNLCZFKX-UHFFFAOYSA-N
XLogP0.04
TPSA135.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 172639428
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
4-(2-azidoethoxy)-3-oxobutanoic acid
CID 18798299
3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078450
3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59103378
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
ethyl 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]acetate
CID 162489427
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide
CID 90113006
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-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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid (CID 166868754) is 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid is [N-]=[N+]=NCCOCCOCCOCCNCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid?
The InChIKey is MDVUISQNLCZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O6/c13-16-15-3-6-20-8-10-21-9-7-19-4-1-14-2-5-22-11-12(17)18/h14H,1-11H2,(H,17,18).
What are the key properties of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid?
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 0.04, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid is sourced from PubChem (CID 166868754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).