2-(1-cyclohexylindol-5-yl)propanoic acid

C17H21NO2 — CID 117118613

IUPAC2-(1-cyclohexylindol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(ccn2C2CCCCC2)c1
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)13-7-8-16-14(11-13)9-10-18(16)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,20)
InChIKeyNWVCUZDMRGBPAS-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.33
Rot. Bonds3

About 2-(1-cyclohexylindol-5-yl)propanoic acid

2-(1-cyclohexylindol-5-yl)propanoic acid (PubChem CID 117118613) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(1-cyclohexylindol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylindol-5-yl)propanoic acid
PubChem CID117118613
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(1-cyclohexylindol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(ccn2C2CCCCC2)c1
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)13-7-8-16-14(11-13)9-10-18(16)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,20)
InChIKeyNWVCUZDMRGBPAS-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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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylindol-5-yl)propanoic acid?
The IUPAC name of 2-(1-cyclohexylindol-5-yl)propanoic acid (CID 117118613) is 2-(1-cyclohexylindol-5-yl)propanoic acid.
What is the SMILES notation for 2-(1-cyclohexylindol-5-yl)propanoic acid?
The canonical SMILES for 2-(1-cyclohexylindol-5-yl)propanoic acid is CC(C(=O)O)c1ccc2c(ccn2C2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclohexylindol-5-yl)propanoic acid?
The InChIKey is NWVCUZDMRGBPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(17(19)20)13-7-8-16-14(11-13)9-10-18(16)15-5-3-2-4-6-15/h7-12,15H,2-6H2,1H3,(H,19,20).
What are the key properties of 2-(1-cyclohexylindol-5-yl)propanoic acid?
2-(1-cyclohexylindol-5-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-5-yl)propanoic acid is sourced from PubChem (CID 117118613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).