3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid

C17H23NO2 — CID 117118529

IUPAC3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid
SMILESO=C(O)CCc1cccc2c1N(C1CCCCC1)CC2
InChIInChI=1S/C17H23NO2/c19-16(20)10-9-13-5-4-6-14-11-12-18(17(13)14)15-7-2-1-3-8-15/h4-6,15H,1-3,7-12H2,(H,19,20)
InChIKeyVAJUQFBYPBRDOD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.40
Rot. Bonds4

About 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid

3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid (PubChem CID 117118529) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid
PubChem CID117118529
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid
SMILESO=C(O)CCc1cccc2c1N(C1CCCCC1)CC2
InChIInChI=1S/C17H23NO2/c19-16(20)10-9-13-5-4-6-14-11-12-18(17(13)14)15-7-2-1-3-8-15/h4-6,15H,1-3,7-12H2,(H,19,20)
InChIKeyVAJUQFBYPBRDOD-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid?
The IUPAC name of 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid (CID 117118529) is 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid.
What is the SMILES notation for 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid?
The canonical SMILES for 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid is O=C(O)CCc1cccc2c1N(C1CCCCC1)CC2.
What is the InChIKey of 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid?
The InChIKey is VAJUQFBYPBRDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(20)10-9-13-5-4-6-14-11-12-18(17(13)14)15-7-2-1-3-8-15/h4-6,15H,1-3,7-12H2,(H,19,20).
What are the key properties of 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid?
3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-2,3-dihydroindol-7-yl)propanoic acid is sourced from PubChem (CID 117118529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).