2-(1-cyclohexylindol-7-yl)propanoic acid

C17H21NO2 — CID 117118656

IUPAC2-(1-cyclohexylindol-7-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2ccn(C3CCCCC3)c12
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)15-9-5-6-13-10-11-18(16(13)15)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyOABJZDVWXDGFOI-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.33
Rot. Bonds3

About 2-(1-cyclohexylindol-7-yl)propanoic acid

2-(1-cyclohexylindol-7-yl)propanoic acid (PubChem CID 117118656) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-cyclohexylindol-7-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylindol-7-yl)propanoic acid
PubChem CID117118656
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(1-cyclohexylindol-7-yl)propanoic acid
SMILESCC(C(=O)O)c1cccc2ccn(C3CCCCC3)c12
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)15-9-5-6-13-10-11-18(16(13)15)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyOABJZDVWXDGFOI-UHFFFAOYSA-N
XLogP4.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylindol-7-yl)ethanol
CID 117118641
2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
CID 115106600
2-(1-cyclobutylindol-7-yl)propan-1-ol
CID 115115262
2-(1-cyclohexylindol-5-yl)propanoic acid
CID 117118613
1-(1-cyclobutylindol-7-yl)propan-2-ol
CID 115115260
2-(1-cyclopentyl-2,3-dihydroindol-4-yl)propanoic acid
CID 115115341
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid
CID 115115521
2-anthracen-1-ylpropanoic acid
CID 57031488
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-(1-cyclohexylisoquinolin-5-yl)propanoic acid
CID 20533890
1-(oxolan-3-yl)indole-7-carboxamide
CID 140662744

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylindol-7-yl)propanoic acid?
The IUPAC name of 2-(1-cyclohexylindol-7-yl)propanoic acid (CID 117118656) is 2-(1-cyclohexylindol-7-yl)propanoic acid.
What is the SMILES notation for 2-(1-cyclohexylindol-7-yl)propanoic acid?
The canonical SMILES for 2-(1-cyclohexylindol-7-yl)propanoic acid is CC(C(=O)O)c1cccc2ccn(C3CCCCC3)c12.
What is the InChIKey of 2-(1-cyclohexylindol-7-yl)propanoic acid?
The InChIKey is OABJZDVWXDGFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(17(19)20)15-9-5-6-13-10-11-18(16(13)15)14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 2-(1-cyclohexylindol-7-yl)propanoic acid?
2-(1-cyclohexylindol-7-yl)propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylindol-7-yl)propanoic acid is sourced from PubChem (CID 117118656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).