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

C12H14N2O2 — CID 19864349

IUPAC[2-(1H-indol-3-yl)ethylamino] acetate
SMILESCC(=O)ONCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O2/c1-9(15)16-14-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13-14H,6-7H2,1H3
InChIKeyFAWRVGWLPRHVDR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.78
Rot. Bonds4

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

[2-(1H-indol-3-yl)ethylamino] acetate (PubChem CID 19864349) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)ethylamino] acetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)ethylamino] acetate
PubChem CID19864349
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name[2-(1H-indol-3-yl)ethylamino] acetate
SMILESCC(=O)ONCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O2/c1-9(15)16-14-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13-14H,6-7H2,1H3
InChIKeyFAWRVGWLPRHVDR-UHFFFAOYSA-N
XLogP1.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(1H-indol-3-yl)ethylamino] acetate 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

1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopentan-2-yl] acetate
CID 178136031
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
(E)-but-2-enedioic acid;bis(N-ethyl-2-(1H-indol-3-yl)ethanamine)
CID 172871952
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815
(Z)-but-2-enedioic acid;N-[2-(1H-indol-3-yl)ethyl]propan-2-amine
CID 5380391
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)ethylamino] acetate?
The IUPAC name of [2-(1H-indol-3-yl)ethylamino] acetate (CID 19864349) is [2-(1H-indol-3-yl)ethylamino] acetate.
What is the SMILES notation for [2-(1H-indol-3-yl)ethylamino] acetate?
The canonical SMILES for [2-(1H-indol-3-yl)ethylamino] acetate is CC(=O)ONCCc1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)ethylamino] acetate?
The InChIKey is FAWRVGWLPRHVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)16-14-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13-14H,6-7H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)ethylamino] acetate?
[2-(1H-indol-3-yl)ethylamino] acetate has a molecular weight of 218.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)ethylamino] acetate is sourced from PubChem (CID 19864349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).