3-(5-ethyl-1-methylindol-3-yl)butanoic acid

C15H19NO2 — CID 82278686

IUPAC3-(5-ethyl-1-methylindol-3-yl)butanoic acid
SMILESCCc1ccc2c(c1)c(C(C)CC(=O)O)cn2C
InChIInChI=1S/C15H19NO2/c1-4-11-5-6-14-12(8-11)13(9-16(14)3)10(2)7-15(17)18/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyGDNMVZLYDDPVEV-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.32
Rot. Bonds4

About 3-(5-ethyl-1-methylindol-3-yl)butanoic acid

3-(5-ethyl-1-methylindol-3-yl)butanoic acid (PubChem CID 82278686) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(5-ethyl-1-methylindol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1-methylindol-3-yl)butanoic acid
PubChem CID82278686
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(5-ethyl-1-methylindol-3-yl)butanoic acid
SMILESCCc1ccc2c(c1)c(C(C)CC(=O)O)cn2C
InChIInChI=1S/C15H19NO2/c1-4-11-5-6-14-12(8-11)13(9-16(14)3)10(2)7-15(17)18/h5-6,8-10H,4,7H2,1-3H3,(H,17,18)
InChIKeyGDNMVZLYDDPVEV-UHFFFAOYSA-N
XLogP3.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-methylindole-3-carboxylic acid
CID 82278766
1-(5-ethyl-1-methylindol-3-yl)-2-methylpropan-1-one
CID 82278783
3-(7-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278699
3-(5-ethyl-1H-indol-3-yl)butanoic acid
CID 82277503
3-(5-chloro-1-methylindol-3-yl)-4-methylpentanoic acid
CID 133108300
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
3-(1,7-dimethylindol-3-yl)butanoic acid
CID 82278698
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
(3R)-3-(1-methylindol-3-yl)-1-phenylbutan-1-one
CID 101252968
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
1-(1,5-diethylindol-3-yl)ethanol
CID 83945334

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1-methylindol-3-yl)butanoic acid?
The IUPAC name of 3-(5-ethyl-1-methylindol-3-yl)butanoic acid (CID 82278686) is 3-(5-ethyl-1-methylindol-3-yl)butanoic acid.
What is the SMILES notation for 3-(5-ethyl-1-methylindol-3-yl)butanoic acid?
The canonical SMILES for 3-(5-ethyl-1-methylindol-3-yl)butanoic acid is CCc1ccc2c(c1)c(C(C)CC(=O)O)cn2C.
What is the InChIKey of 3-(5-ethyl-1-methylindol-3-yl)butanoic acid?
The InChIKey is GDNMVZLYDDPVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-11-5-6-14-12(8-11)13(9-16(14)3)10(2)7-15(17)18/h5-6,8-10H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 3-(5-ethyl-1-methylindol-3-yl)butanoic acid?
3-(5-ethyl-1-methylindol-3-yl)butanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1-methylindol-3-yl)butanoic acid is sourced from PubChem (CID 82278686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).