2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid

C16H19NO2 — CID 115106599

IUPAC2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid
SMILESO=C(O)Cc1cccc2ccn(CC3CCCC3)c12
InChIInChI=1S/C16H19NO2/c18-15(19)10-14-7-3-6-13-8-9-17(16(13)14)11-12-4-1-2-5-12/h3,6-9,12H,1-2,4-5,10-11H2,(H,18,19)
InChIKeyUZHLIOYGOUVRBE-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.46
Rot. Bonds4

About 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid

2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid (PubChem CID 115106599) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid
PubChem CID115106599
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid
SMILESO=C(O)Cc1cccc2ccn(CC3CCCC3)c12
InChIInChI=1S/C16H19NO2/c18-15(19)10-14-7-3-6-13-8-9-17(16(13)14)11-12-4-1-2-5-12/h3,6-9,12H,1-2,4-5,10-11H2,(H,18,19)
InChIKeyUZHLIOYGOUVRBE-UHFFFAOYSA-N
XLogP3.46
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid (CID 115106599) is 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid is O=C(O)Cc1cccc2ccn(CC3CCCC3)c12.
What is the InChIKey of 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid?
The InChIKey is UZHLIOYGOUVRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15(19)10-14-7-3-6-13-8-9-17(16(13)14)11-12-4-1-2-5-12/h3,6-9,12H,1-2,4-5,10-11H2,(H,18,19).
What are the key properties of 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid?
2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid is sourced from PubChem (CID 115106599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).