3-(5-methyl-1H-indol-3-yl)hexanoic acid

C15H19NO2 — CID 142468464

IUPAC3-(5-methyl-1H-indol-3-yl)hexanoic acid
SMILESCCCC(CC(=O)O)c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C15H19NO2/c1-3-4-11(8-15(17)18)13-9-16-14-6-5-10(2)7-12(13)14/h5-7,9,11,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyWFWVSSCVPDNSFE-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.83
Rot. Bonds5

About 3-(5-methyl-1H-indol-3-yl)hexanoic acid

3-(5-methyl-1H-indol-3-yl)hexanoic acid (PubChem CID 142468464) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(5-methyl-1H-indol-3-yl)hexanoic acid.

Molecular Properties

Compound Name3-(5-methyl-1H-indol-3-yl)hexanoic acid
PubChem CID142468464
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(5-methyl-1H-indol-3-yl)hexanoic acid
SMILESCCCC(CC(=O)O)c1c[nH]c2ccc(C)cc12
InChIInChI=1S/C15H19NO2/c1-3-4-11(8-15(17)18)13-9-16-14-6-5-10(2)7-12(13)14/h5-7,9,11,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyWFWVSSCVPDNSFE-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 78166336
3-[2-(aminomethyl)-4-methylphenyl]hexanoic acid
CID 142774633
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
5-fluoro-3-(1H-indol-3-yl)pentanoic acid
CID 175501351
3-(5-ethyl-1H-indol-3-yl)butanoic acid
CID 82277503
3-(3,5-dimethyl-2-propoxyphenyl)hexanoic acid
CID 83959167
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
3-(5-ethoxy-1H-indol-3-yl)butanoic acid
CID 82277509
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-(5-methyl-1H-indol-3-yl)acetic acid
CID 42651309
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-indol-3-yl)hexanoic acid?
The IUPAC name of 3-(5-methyl-1H-indol-3-yl)hexanoic acid (CID 142468464) is 3-(5-methyl-1H-indol-3-yl)hexanoic acid.
What is the SMILES notation for 3-(5-methyl-1H-indol-3-yl)hexanoic acid?
The canonical SMILES for 3-(5-methyl-1H-indol-3-yl)hexanoic acid is CCCC(CC(=O)O)c1c[nH]c2ccc(C)cc12.
What is the InChIKey of 3-(5-methyl-1H-indol-3-yl)hexanoic acid?
The InChIKey is WFWVSSCVPDNSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-11(8-15(17)18)13-9-16-14-6-5-10(2)7-12(13)14/h5-7,9,11,16H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 3-(5-methyl-1H-indol-3-yl)hexanoic acid?
3-(5-methyl-1H-indol-3-yl)hexanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-indol-3-yl)hexanoic acid is sourced from PubChem (CID 142468464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).