2-[1-(2-azidoethyl)indol-4-yl]oxyacetate

C12H11N4O3- — CID 18351599

IUPAC2-[1-(2-azidoethyl)indol-4-yl]oxyacetate
SMILES[N-]=[N+]=NCCn1ccc2c(OCC(=O)[O-])cccc21
InChIInChI=1S/C12H12N4O3/c13-15-14-5-7-16-6-4-9-10(16)2-1-3-11(9)19-8-12(17)18/h1-4,6H,5,7-8H2,(H,17,18)/p-1
InChIKeyXWCMDZBCWSEGFH-UHFFFAOYSA-M
MW259.25 g/mol
LogP1.08
Rot. Bonds6

About 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate

2-[1-(2-azidoethyl)indol-4-yl]oxyacetate (PubChem CID 18351599) has the molecular formula C12H11N4O3- and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate.

Molecular Properties

Compound Name2-[1-(2-azidoethyl)indol-4-yl]oxyacetate
PubChem CID18351599
Molecular FormulaC12H11N4O3-
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name2-[1-(2-azidoethyl)indol-4-yl]oxyacetate
SMILES[N-]=[N+]=NCCn1ccc2c(OCC(=O)[O-])cccc21
InChIInChI=1S/C12H12N4O3/c13-15-14-5-7-16-6-4-9-10(16)2-1-3-11(9)19-8-12(17)18/h1-4,6H,5,7-8H2,(H,17,18)/p-1
InChIKeyXWCMDZBCWSEGFH-UHFFFAOYSA-M
XLogP1.08
TPSA103.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

Analyze 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate
CID 20708400
methyl 2-[1-[2-(ethylideneamino)ethyl]indol-4-yl]oxyacetate
CID 20708406
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
4-(4-ethoxyindol-1-yl)-2,2-dimethylbutanoic acid
CID 83162756
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
2-[1-[2-(3-phenylpropoxy)ethyl]indol-4-yl]oxyacetic acid
CID 18351684
2-[1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-yl]oxyacetic acid
CID 18351777
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
3-(4-propoxyindol-1-yl)propanamide
CID 83173818
2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
CID 83174508

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate?
The IUPAC name of 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate (CID 18351599) is 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate.
What is the SMILES notation for 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate?
The canonical SMILES for 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate is [N-]=[N+]=NCCn1ccc2c(OCC(=O)[O-])cccc21.
What is the InChIKey of 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate?
The InChIKey is XWCMDZBCWSEGFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N4O3/c13-15-14-5-7-16-6-4-9-10(16)2-1-3-11(9)19-8-12(17)18/h1-4,6H,5,7-8H2,(H,17,18)/p-1.
What are the key properties of 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate?
2-[1-(2-azidoethyl)indol-4-yl]oxyacetate has a molecular weight of 259.25 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-azidoethyl)indol-4-yl]oxyacetate is sourced from PubChem (CID 18351599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).