ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate

C15H19NO3 — CID 162427541

IUPACethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate
SMILESCCOC(=O)CCn1ccc2cc(O)cc(CC)c21
InChIInChI=1S/C15H19NO3/c1-3-11-9-13(17)10-12-5-7-16(15(11)12)8-6-14(18)19-4-2/h5,7,9-10,17H,3-4,6,8H2,1-2H3
InChIKeyYMTSQMRHILQWPC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.86
Rot. Bonds5

About ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate

ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate (PubChem CID 162427541) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate
PubChem CID162427541
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate
SMILESCCOC(=O)CCn1ccc2cc(O)cc(CC)c21
InChIInChI=1S/C15H19NO3/c1-3-11-9-13(17)10-12-5-7-16(15(11)12)8-6-14(18)19-4-2/h5,7,9-10,17H,3-4,6,8H2,1-2H3
InChIKeyYMTSQMRHILQWPC-UHFFFAOYSA-N
XLogP2.86
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
ethyl 3-(5-hydroxyindol-1-yl)propanoate
CID 24971969
ethyl 3-(7-nitroindol-1-yl)propanoate
CID 114935544
ethyl 3-(4-oxo-2-sulfanylidenepyrimidin-1-yl)propanoate
CID 62402562
1-(3-ethoxy-3-oxopropyl)-2-(methoxymethyl)pyrrole-3-carboxylic acid
CID 84756125
propyl 5-(5-hydroxyindol-1-yl)pentanoate
CID 142923299
ethyl 6-(7-chloroindol-1-yl)hexanoate
CID 103474240
ethyl 3-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)propanoate
CID 142874027
ethyl 6-(7-formylindol-1-yl)hexanoate
CID 102910186
ethyl 3-(6-oxopyrimidin-1-yl)propanoate
CID 63770580
ethyl 4-[6,7-bis(ethoxycarbonyloxy)-1-oxoisoquinolin-2-yl]butanoate
CID 10503011
ethyl 3-[3-indol-1-ylpropanoyl(methyl)amino]propanoate
CID 84557932

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate?
The IUPAC name of ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate (CID 162427541) is ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate?
The canonical SMILES for ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate is CCOC(=O)CCn1ccc2cc(O)cc(CC)c21.
What is the InChIKey of ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate?
The InChIKey is YMTSQMRHILQWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-11-9-13(17)10-12-5-7-16(15(11)12)8-6-14(18)19-4-2/h5,7,9-10,17H,3-4,6,8H2,1-2H3.
What are the key properties of ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate?
ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate has a molecular weight of 261.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(7-ethyl-5-hydroxyindol-1-yl)propanoate is sourced from PubChem (CID 162427541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).