4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid

C17H21NO2 — CID 65458314

IUPAC4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
SMILESO=C(O)CCCc1cn(CC2CCC2)c2ccccc12
InChIInChI=1S/C17H21NO2/c19-17(20)10-4-7-14-12-18(11-13-5-3-6-13)16-9-2-1-8-15(14)16/h1-2,8-9,12-13H,3-7,10-11H2,(H,19,20)
InChIKeyBJHFDIYCAKDHNZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.85
Rot. Bonds6

About 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid

4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid (PubChem CID 65458314) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
PubChem CID65458314
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
SMILESO=C(O)CCCc1cn(CC2CCC2)c2ccccc12
InChIInChI=1S/C17H21NO2/c19-17(20)10-4-7-14-12-18(11-13-5-3-6-13)16-9-2-1-8-15(14)16/h1-2,8-9,12-13H,3-7,10-11H2,(H,19,20)
InChIKeyBJHFDIYCAKDHNZ-UHFFFAOYSA-N
XLogP3.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid?
The IUPAC name of 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid (CID 65458314) is 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid.
What is the SMILES notation for 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid?
The canonical SMILES for 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid is O=C(O)CCCc1cn(CC2CCC2)c2ccccc12.
What is the InChIKey of 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid?
The InChIKey is BJHFDIYCAKDHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-17(20)10-4-7-14-12-18(11-13-5-3-6-13)16-9-2-1-8-15(14)16/h1-2,8-9,12-13H,3-7,10-11H2,(H,19,20).
What are the key properties of 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid?
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid is sourced from PubChem (CID 65458314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).