ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate

C15H19NO3 — CID 102584302

IUPACethyl 2-(7-methoxy-1H-indol-3-yl)butanoate
SMILESCCOC(=O)C(CC)c1c[nH]c2c(OC)cccc12
InChIInChI=1S/C15H19NO3/c1-4-10(15(17)19-5-2)12-9-16-14-11(12)7-6-8-13(14)18-3/h6-10,16H,4-5H2,1-3H3
InChIKeyJPDVRNNYDXQWDD-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate

ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate (PubChem CID 102584302) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(7-methoxy-1H-indol-3-yl)butanoate
PubChem CID102584302
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 2-(7-methoxy-1H-indol-3-yl)butanoate
SMILESCCOC(=O)C(CC)c1c[nH]c2c(OC)cccc12
InChIInChI=1S/C15H19NO3/c1-4-10(15(17)19-5-2)12-9-16-14-11(12)7-6-8-13(14)18-3/h6-10,16H,4-5H2,1-3H3
InChIKeyJPDVRNNYDXQWDD-UHFFFAOYSA-N
XLogP3.23
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7,7-bis(7-methoxy-1H-indol-3-yl)heptanoate
CID 66987125
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)acetic acid
CID 29137217
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
CID 144940831
diethyl 4-(7-methoxy-1H-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3329234
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
ethyl 2-(3-bromo-2,4-dimethoxyphenyl)butanoate
CID 103523779
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398
ethyl 2-(5-methylsulfanyl-1H-indol-3-yl)butanoate
CID 102584292
ethyl 2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 115073299
(2S)-2-(7-methoxy-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
CID 29126918
chloro 2-(1H-indol-3-yl)butanoate
CID 174769517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate?
The IUPAC name of ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate (CID 102584302) is ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate.
What is the SMILES notation for ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate?
The canonical SMILES for ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate is CCOC(=O)C(CC)c1c[nH]c2c(OC)cccc12.
What is the InChIKey of ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate?
The InChIKey is JPDVRNNYDXQWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-10(15(17)19-5-2)12-9-16-14-11(12)7-6-8-13(14)18-3/h6-10,16H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate?
ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate has a molecular weight of 261.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methoxy-1H-indol-3-yl)butanoate is sourced from PubChem (CID 102584302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).