3-(1-hexylindol-5-yl)propanoic acid

C17H23NO2 — CID 20770765

IUPAC3-(1-hexylindol-5-yl)propanoic acid
SMILESCCCCCCn1ccc2cc(CCC(=O)O)ccc21
InChIInChI=1S/C17H23NO2/c1-2-3-4-5-11-18-12-10-15-13-14(6-8-16(15)18)7-9-17(19)20/h6,8,10,12-13H,2-5,7,9,11H2,1H3,(H,19,20)
InChIKeyQNZHNLXLZNISFD-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.24
Rot. Bonds8

About 3-(1-hexylindol-5-yl)propanoic acid

3-(1-hexylindol-5-yl)propanoic acid (PubChem CID 20770765) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(1-hexylindol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-hexylindol-5-yl)propanoic acid
PubChem CID20770765
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(1-hexylindol-5-yl)propanoic acid
SMILESCCCCCCn1ccc2cc(CCC(=O)O)ccc21
InChIInChI=1S/C17H23NO2/c1-2-3-4-5-11-18-12-10-15-13-14(6-8-16(15)18)7-9-17(19)20/h6,8,10,12-13H,2-5,7,9,11H2,1H3,(H,19,20)
InChIKeyQNZHNLXLZNISFD-UHFFFAOYSA-N
XLogP4.24
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-butylindol-5-yl)methanol
CID 102912394
1-pentylindol-5-ol
CID 142952081
1-(1-pentylindol-5-yl)propan-2-amine
CID 102917546
5-(5-bromoindol-1-yl)pentanoic acid
CID 43152065
(1-hexylindol-5-yl) hypobromite
CID 23151412
(1-octylindol-5-yl) hypobromite
CID 23151417
3-(1-cyclopropylindol-5-yl)propanoic acid
CID 155919864
N-methyl-2-(1-propylindol-5-yl)ethanamine
CID 115106808
3-[1-(2-methylpropyl)indol-6-yl]propanoic acid
CID 115106738
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
3-(1-ethylindol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71819831
acetic acid;1-butylindole
CID 162326365

Frequently Asked Questions

What is the IUPAC name of 3-(1-hexylindol-5-yl)propanoic acid?
The IUPAC name of 3-(1-hexylindol-5-yl)propanoic acid (CID 20770765) is 3-(1-hexylindol-5-yl)propanoic acid.
What is the SMILES notation for 3-(1-hexylindol-5-yl)propanoic acid?
The canonical SMILES for 3-(1-hexylindol-5-yl)propanoic acid is CCCCCCn1ccc2cc(CCC(=O)O)ccc21.
What is the InChIKey of 3-(1-hexylindol-5-yl)propanoic acid?
The InChIKey is QNZHNLXLZNISFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-3-4-5-11-18-12-10-15-13-14(6-8-16(15)18)7-9-17(19)20/h6,8,10,12-13H,2-5,7,9,11H2,1H3,(H,19,20).
What are the key properties of 3-(1-hexylindol-5-yl)propanoic acid?
3-(1-hexylindol-5-yl)propanoic acid has a molecular weight of 273.38 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hexylindol-5-yl)propanoic acid is sourced from PubChem (CID 20770765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).