[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate

C14H19N3O2 — CID 162733971

IUPAC[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
SMILESCN(C)CCc1c[nH]c2cccc(OC(=O)CN)c12
InChIInChI=1S/C14H19N3O2/c1-17(2)7-6-10-9-16-11-4-3-5-12(14(10)11)19-13(18)8-15/h3-5,9,16H,6-8,15H2,1-2H3
InChIKeyXEORHXVWAIFMBG-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.14
Rot. Bonds5

About [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate

[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate (PubChem CID 162733971) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
PubChem CID162733971
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
SMILESCN(C)CCc1c[nH]c2cccc(OC(=O)CN)c12
InChIInChI=1S/C14H19N3O2/c1-17(2)7-6-10-9-16-11-4-3-5-12(14(10)11)19-13(18)8-15/h3-5,9,16H,6-8,15H2,1-2H3
InChIKeyXEORHXVWAIFMBG-UHFFFAOYSA-N
XLogP1.14
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl 2-aminoacetate
CID 176589084
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4,4-dimethylpentanoate
CID 167476981
4-amino-5-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid
CID 176651471
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] N-amino-N-propan-2-ylsulfanylcarbamate
CID 167476910
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 3,3,4,4-tetradeuterio-4-(dimethylamino)-2-methylbutanoate
CID 176651508
tris[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (Z)-prop-1-ene-1,2,3-tricarboxylate
CID 176651480
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3,3,4,5,6,6-heptamethylheptanoate
CID 176917034
4-[2-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-oxoethoxy]butanoic acid
CID 176651472
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4,4-dimethylpentanoate;ethenol
CID 167476980

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate (CID 162733971) is [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate is CN(C)CCc1c[nH]c2cccc(OC(=O)CN)c12.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate?
The InChIKey is XEORHXVWAIFMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17(2)7-6-10-9-16-11-4-3-5-12(14(10)11)19-13(18)8-15/h3-5,9,16H,6-8,15H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate?
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate has a molecular weight of 261.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate is sourced from PubChem (CID 162733971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).