ethyl 3-(1H-indol-5-yl)propanoate

C13H15NO2 — CID 73357468

IUPACethyl 3-(1H-indol-5-yl)propanoate
SMILESCCOC(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H15NO2/c1-2-16-13(15)6-4-10-3-5-12-11(9-10)7-8-14-12/h3,5,7-9,14H,2,4,6H2,1H3
InChIKeyCWEUTTSBFTWSAZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.66
Rot. Bonds4

About ethyl 3-(1H-indol-5-yl)propanoate

ethyl 3-(1H-indol-5-yl)propanoate (PubChem CID 73357468) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl 3-(1H-indol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1H-indol-5-yl)propanoate
PubChem CID73357468
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethyl 3-(1H-indol-5-yl)propanoate
SMILESCCOC(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C13H15NO2/c1-2-16-13(15)6-4-10-3-5-12-11(9-10)7-8-14-12/h3,5,7-9,14H,2,4,6H2,1H3
InChIKeyCWEUTTSBFTWSAZ-UHFFFAOYSA-N
XLogP2.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[4-hydroxy-3-(1H-indol-5-yl)-5-methoxyphenyl]propanoate
CID 22558987
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
2-[ethyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
CID 120519645
methyl (2S)-2-[3-(1H-indol-5-yl)propanoylamino]propanoate
CID 84598942
4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
CID 175853816
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
ethyl 3-(4-amino-3-ethynylphenyl)propanoate
CID 142738602
N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-5-yl)propanamide
CID 71840809
ethyl 4-(1H-indol-5-yl)but-3-ynoate
CID 170471402
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-indol-5-yl)propanoate?
The IUPAC name of ethyl 3-(1H-indol-5-yl)propanoate (CID 73357468) is ethyl 3-(1H-indol-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(1H-indol-5-yl)propanoate?
The canonical SMILES for ethyl 3-(1H-indol-5-yl)propanoate is CCOC(=O)CCc1ccc2[nH]ccc2c1.
What is the InChIKey of ethyl 3-(1H-indol-5-yl)propanoate?
The InChIKey is CWEUTTSBFTWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-16-13(15)6-4-10-3-5-12-11(9-10)7-8-14-12/h3,5,7-9,14H,2,4,6H2,1H3.
What are the key properties of ethyl 3-(1H-indol-5-yl)propanoate?
ethyl 3-(1H-indol-5-yl)propanoate has a molecular weight of 217.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-indol-5-yl)propanoate is sourced from PubChem (CID 73357468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).