3-(5-ethyl-1H-indol-3-yl)butanoic acid

C14H17NO2 — CID 82277503

IUPAC3-(5-ethyl-1H-indol-3-yl)butanoic acid
SMILESCCc1ccc2[nH]cc(C(C)CC(=O)O)c2c1
InChIInChI=1S/C14H17NO2/c1-3-10-4-5-13-11(7-10)12(8-15-13)9(2)6-14(16)17/h4-5,7-9,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyKLHLHYVYRGNVQW-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.31
Rot. Bonds4

About 3-(5-ethyl-1H-indol-3-yl)butanoic acid

3-(5-ethyl-1H-indol-3-yl)butanoic acid (PubChem CID 82277503) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(5-ethyl-1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1H-indol-3-yl)butanoic acid
PubChem CID82277503
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-(5-ethyl-1H-indol-3-yl)butanoic acid
SMILESCCc1ccc2[nH]cc(C(C)CC(=O)O)c2c1
InChIInChI=1S/C14H17NO2/c1-3-10-4-5-13-11(7-10)12(8-15-13)9(2)6-14(16)17/h4-5,7-9,15H,3,6H2,1-2H3,(H,16,17)
InChIKeyKLHLHYVYRGNVQW-UHFFFAOYSA-N
XLogP3.31
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509
3-(5-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278686
3-(5-methyl-1H-indol-3-yl)hexanoic acid
CID 142468464
4-(5-fluoro-1H-indol-3-yl)-2-iminopentanoic acid
CID 175239287
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
pentan-3-yl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11716193
3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid
CID 76846716
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1H-indol-3-yl)butanoic acid?
The IUPAC name of 3-(5-ethyl-1H-indol-3-yl)butanoic acid (CID 82277503) is 3-(5-ethyl-1H-indol-3-yl)butanoic acid.
What is the SMILES notation for 3-(5-ethyl-1H-indol-3-yl)butanoic acid?
The canonical SMILES for 3-(5-ethyl-1H-indol-3-yl)butanoic acid is CCc1ccc2[nH]cc(C(C)CC(=O)O)c2c1.
What is the InChIKey of 3-(5-ethyl-1H-indol-3-yl)butanoic acid?
The InChIKey is KLHLHYVYRGNVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-10-4-5-13-11(7-10)12(8-15-13)9(2)6-14(16)17/h4-5,7-9,15H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-ethyl-1H-indol-3-yl)butanoic acid?
3-(5-ethyl-1H-indol-3-yl)butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 82277503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).