ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate

C16H21NO3 — CID 54293659

IUPACethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
SMILESCCOC(=O)CC(CC)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H21NO3/c1-4-11(8-16(18)20-5-2)14-10-17-15-7-6-12(19-3)9-13(14)15/h6-7,9-11,17H,4-5,8H2,1-3H3
InChIKeyRZGYEPJZSOUSLA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.62
Rot. Bonds6

About ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate

ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate (PubChem CID 54293659) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate.

Molecular Properties

Compound Nameethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
PubChem CID54293659
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
SMILESCCOC(=O)CC(CC)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C16H21NO3/c1-4-11(8-16(18)20-5-2)14-10-17-15-7-6-12(19-3)9-13(14)15/h6-7,9-11,17H,4-5,8H2,1-3H3
InChIKeyRZGYEPJZSOUSLA-UHFFFAOYSA-N
XLogP3.62
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
3-(5-methoxy-1H-indol-3-yl)-N-methylpentan-1-amine
CID 167471942
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120
2-(4-ethoxycarbonylpiperazin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 42650234
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate?
The IUPAC name of ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate (CID 54293659) is ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate.
What is the SMILES notation for ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate?
The canonical SMILES for ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate is CCOC(=O)CC(CC)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate?
The InChIKey is RZGYEPJZSOUSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-11(8-16(18)20-5-2)14-10-17-15-7-6-12(19-3)9-13(14)15/h6-7,9-11,17H,4-5,8H2,1-3H3.
What are the key properties of ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate?
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate has a molecular weight of 275.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate is sourced from PubChem (CID 54293659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).