3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid

C15H19NO2 — CID 115115116

IUPAC3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)N(C1CCC1)CC2
InChIInChI=1S/C15H19NO2/c17-15(18)7-5-11-4-6-12-8-9-16(14(12)10-11)13-2-1-3-13/h4,6,10,13H,1-3,5,7-9H2,(H,17,18)
InChIKeyVQJPYJPYHBQMPI-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.62
Rot. Bonds4

About 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid

3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid (PubChem CID 115115116) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid
PubChem CID115115116
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid
SMILESO=C(O)CCc1ccc2c(c1)N(C1CCC1)CC2
InChIInChI=1S/C15H19NO2/c17-15(18)7-5-11-4-6-12-8-9-16(14(12)10-11)13-2-1-3-13/h4,6,10,13H,1-3,5,7-9H2,(H,17,18)
InChIKeyVQJPYJPYHBQMPI-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid?
The IUPAC name of 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid (CID 115115116) is 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid.
What is the SMILES notation for 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid?
The canonical SMILES for 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid is O=C(O)CCc1ccc2c(c1)N(C1CCC1)CC2.
What is the InChIKey of 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid?
The InChIKey is VQJPYJPYHBQMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)7-5-11-4-6-12-8-9-16(14(12)10-11)13-2-1-3-13/h4,6,10,13H,1-3,5,7-9H2,(H,17,18).
What are the key properties of 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid?
3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutyl-2,3-dihydroindol-6-yl)propanoic acid is sourced from PubChem (CID 115115116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).