ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate

C14H16N2O3 — CID 28710187

IUPACethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-2-19-14(18)13(17)15-8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H,15,17)
InChIKeyHRWYDBCAEYOVAM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.39
Rot. Bonds4

About ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate

ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate (PubChem CID 28710187) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
PubChem CID28710187
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-2-19-14(18)13(17)15-8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H,15,17)
InChIKeyHRWYDBCAEYOVAM-UHFFFAOYSA-N
XLogP1.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]butanoate
CID 110996155
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate (CID 28710187) is ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate?
The InChIKey is HRWYDBCAEYOVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-19-14(18)13(17)15-8-7-10-9-16-12-6-4-3-5-11(10)12/h3-6,9,16H,2,7-8H2,1H3,(H,15,17).
What are the key properties of ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate?
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate has a molecular weight of 260.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate is sourced from PubChem (CID 28710187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).