ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate

C14H14N2O4 — CID 7117292

IUPACethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O4/c1-2-20-12(17)8-16-14(19)13(18)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,2,8H2,1H3,(H,16,19)
InChIKeyDFYSCFGRDTZECI-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.03
Rot. Bonds5

About ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate

ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate (PubChem CID 7117292) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
PubChem CID7117292
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O4/c1-2-20-12(17)8-16-14(19)13(18)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,2,8H2,1H3,(H,16,19)
InChIKeyDFYSCFGRDTZECI-UHFFFAOYSA-N
XLogP1.03
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate (CID 7117292) is ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate is CCOC(=O)CNC(=O)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
The InChIKey is DFYSCFGRDTZECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-20-12(17)8-16-14(19)13(18)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,2,8H2,1H3,(H,16,19).
What are the key properties of ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate?
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate has a molecular weight of 274.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate is sourced from PubChem (CID 7117292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).