ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate

C15H20N2O2 — CID 10956302

IUPACethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate
SMILESCCOC(=O)C(C)c1[nH]c2ccccc2c1CCN
InChIInChI=1S/C15H20N2O2/c1-3-19-15(18)10(2)14-12(8-9-16)11-6-4-5-7-13(11)17-14/h4-7,10,17H,3,8-9,16H2,1-2H3
InChIKeyIGRFHBRXAMZHBD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.34
Rot. Bonds5

About ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate

ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate (PubChem CID 10956302) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate
PubChem CID10956302
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate
SMILESCCOC(=O)C(C)c1[nH]c2ccccc2c1CCN
InChIInChI=1S/C15H20N2O2/c1-3-19-15(18)10(2)14-12(8-9-16)11-6-4-5-7-13(11)17-14/h4-7,10,17H,3,8-9,16H2,1-2H3
InChIKeyIGRFHBRXAMZHBD-UHFFFAOYSA-N
XLogP2.34
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1H-indole-2-carboxylic acid;ethane
CID 90797708
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
ethyl (2S)-2-amino-3-(2-bromo-1H-indol-3-yl)propanoate
CID 15343755
2-but-3-en-2-yl-3-propyl-1H-indole
CID 143390635
4-[[3-(2-aminoethyl)-1H-indol-2-yl]-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one
CID 69063787
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
ethyl 2-(3-oxo-1,4-dihydrofuro[3,4-b]indol-1-yl)propanoate
CID 23245119
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
ethyl 2-(benzylamino)-2-(2-propan-2-yl-1H-indol-3-yl)acetate
CID 134864756
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
ethyl 3-(2-nitro-1H-indol-3-yl)propanoate
CID 140973009

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate?
The IUPAC name of ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate (CID 10956302) is ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate.
What is the SMILES notation for ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate?
The canonical SMILES for ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate is CCOC(=O)C(C)c1[nH]c2ccccc2c1CCN.
What is the InChIKey of ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate?
The InChIKey is IGRFHBRXAMZHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-19-15(18)10(2)14-12(8-9-16)11-6-4-5-7-13(11)17-14/h4-7,10,17H,3,8-9,16H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate?
ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate has a molecular weight of 260.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-aminoethyl)-1H-indol-2-yl]propanoate is sourced from PubChem (CID 10956302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).