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

C22H42N4O12 — CID 4604454

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)O
InChIInChI=1S/C22H42N4O12/c23-26-25-2-4-31-6-8-33-10-12-35-14-16-37-18-17-36-15-13-34-11-9-32-7-5-30-3-1-24-21(27)19-38-20-22(28)29/h1-20H2,(H,24,27)(H,28,29)
InChIKeyWWDNBBVPYDZICO-UHFFFAOYSA-N
MW554.59 g/mol
LogP-0.35
Rot. Bonds31

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

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid (PubChem CID 4604454) has the molecular formula C22H42N4O12 and a molecular weight of 554.59 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
PubChem CID4604454
Molecular FormulaC22H42N4O12
Molecular Weight554.59 g/mol
Exact Mass554.28
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)O
InChIInChI=1S/C22H42N4O12/c23-26-25-2-4-31-6-8-33-10-12-35-14-16-37-18-17-36-15-13-34-11-9-32-7-5-30-3-1-24-21(27)19-38-20-22(28)29/h1-20H2,(H,24,27)(H,28,29)
InChIKeyWWDNBBVPYDZICO-UHFFFAOYSA-N
XLogP-0.35
TPSA198.23 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.59
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid (CID 4604454) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid is [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid?
The InChIKey is WWDNBBVPYDZICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O12/c23-26-25-2-4-31-6-8-33-10-12-35-14-16-37-18-17-36-15-13-34-11-9-32-7-5-30-3-1-24-21(27)19-38-20-22(28)29/h1-20H2,(H,24,27)(H,28,29).
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid?
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid has a molecular weight of 554.59 g/mol, XLogP of -0.35, 31 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 4604454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).