3-(7-ethyl-1H-indol-2-yl)pentanoic acid

C15H19NO2 — CID 143265893

IUPAC3-(7-ethyl-1H-indol-2-yl)pentanoic acid
SMILESCCc1cccc2cc(C(CC)CC(=O)O)[nH]c12
InChIInChI=1S/C15H19NO2/c1-3-10-6-5-7-12-8-13(16-15(10)12)11(4-2)9-14(17)18/h5-8,11,16H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyIMQDAXVIBABISL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.70
Rot. Bonds5

About 3-(7-ethyl-1H-indol-2-yl)pentanoic acid

3-(7-ethyl-1H-indol-2-yl)pentanoic acid (PubChem CID 143265893) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-2-yl)pentanoic acid.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-2-yl)pentanoic acid
PubChem CID143265893
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(7-ethyl-1H-indol-2-yl)pentanoic acid
SMILESCCc1cccc2cc(C(CC)CC(=O)O)[nH]c12
InChIInChI=1S/C15H19NO2/c1-3-10-6-5-7-12-8-13(16-15(10)12)11(4-2)9-14(17)18/h5-8,11,16H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyIMQDAXVIBABISL-UHFFFAOYSA-N
XLogP3.70
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(7-ethyl-1H-indol-2-yl)methanol
CID 84817992
(7-ethyl-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)methanone
CID 11616461
8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one
CID 84630854
8-ethyl-3-phenyl-1H-quinolin-2-one
CID 39346058
ethane;3-phenylpentanoic acid
CID 142147200
(3S)-3-(1H-indol-2-yl)butanoic acid
CID 96762182
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507
8-ethyl-2-propan-2-yl-1H-quinolin-4-one
CID 43668106
(2S)-2-[(7-methyl-1H-indole-2-carbonyl)amino]butanedioic acid
CID 170158987
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
3-[4-hydroxy-3-(hydroxymethyl)phenyl]pentanoic acid
CID 83949673

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-2-yl)pentanoic acid?
The IUPAC name of 3-(7-ethyl-1H-indol-2-yl)pentanoic acid (CID 143265893) is 3-(7-ethyl-1H-indol-2-yl)pentanoic acid.
What is the SMILES notation for 3-(7-ethyl-1H-indol-2-yl)pentanoic acid?
The canonical SMILES for 3-(7-ethyl-1H-indol-2-yl)pentanoic acid is CCc1cccc2cc(C(CC)CC(=O)O)[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-2-yl)pentanoic acid?
The InChIKey is IMQDAXVIBABISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-10-6-5-7-12-8-13(16-15(10)12)11(4-2)9-14(17)18/h5-8,11,16H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 3-(7-ethyl-1H-indol-2-yl)pentanoic acid?
3-(7-ethyl-1H-indol-2-yl)pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-2-yl)pentanoic acid is sourced from PubChem (CID 143265893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).