3-(1-cyclohexylindol-6-yl)propanoic acid

C17H21NO2 — CID 117118637

IUPAC3-(1-cyclohexylindol-6-yl)propanoic acid
SMILESO=C(O)CCc1ccc2ccn(C3CCCCC3)c2c1
InChIInChI=1S/C17H21NO2/c19-17(20)9-7-13-6-8-14-10-11-18(16(14)12-13)15-4-2-1-3-5-15/h6,8,10-12,15H,1-5,7,9H2,(H,19,20)
InChIKeyAMVDMMHRPBAUHV-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.16
Rot. Bonds4

About 3-(1-cyclohexylindol-6-yl)propanoic acid

3-(1-cyclohexylindol-6-yl)propanoic acid (PubChem CID 117118637) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(1-cyclohexylindol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclohexylindol-6-yl)propanoic acid
PubChem CID117118637
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(1-cyclohexylindol-6-yl)propanoic acid
SMILESO=C(O)CCc1ccc2ccn(C3CCCCC3)c2c1
InChIInChI=1S/C17H21NO2/c19-17(20)9-7-13-6-8-14-10-11-18(16(14)12-13)15-4-2-1-3-5-15/h6,8,10-12,15H,1-5,7,9H2,(H,19,20)
InChIKeyAMVDMMHRPBAUHV-UHFFFAOYSA-N
XLogP4.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid
CID 174406031
3-(1-cyclopropylindol-5-yl)propanoic acid
CID 155919864
3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid
CID 115115521
2-(1-cyclobutylindol-6-yl)ethanamine
CID 115115243
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
3-[1-(2-methylpropyl)indol-6-yl]propanoic acid
CID 115106738
1-cyclobutylindol-6-ol
CID 141298764
1-cyclobutylindole-6-carbaldehyde
CID 115115247
1-cyclobutylindole-5-carboxylic acid
CID 115115226
3-(1-cyclopentyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526557
2-(1-cyclohexylindol-5-yl)propanoic acid
CID 117118613
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylindol-6-yl)propanoic acid?
The IUPAC name of 3-(1-cyclohexylindol-6-yl)propanoic acid (CID 117118637) is 3-(1-cyclohexylindol-6-yl)propanoic acid.
What is the SMILES notation for 3-(1-cyclohexylindol-6-yl)propanoic acid?
The canonical SMILES for 3-(1-cyclohexylindol-6-yl)propanoic acid is O=C(O)CCc1ccc2ccn(C3CCCCC3)c2c1.
What is the InChIKey of 3-(1-cyclohexylindol-6-yl)propanoic acid?
The InChIKey is AMVDMMHRPBAUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(20)9-7-13-6-8-14-10-11-18(16(14)12-13)15-4-2-1-3-5-15/h6,8,10-12,15H,1-5,7,9H2,(H,19,20).
What are the key properties of 3-(1-cyclohexylindol-6-yl)propanoic acid?
3-(1-cyclohexylindol-6-yl)propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylindol-6-yl)propanoic acid is sourced from PubChem (CID 117118637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).