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

C17H21NO2 — CID 115106600

IUPAC2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
SMILESCC(C(=O)O)c1cccc2ccn(CC3CCCC3)c12
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)15-8-4-7-14-9-10-18(16(14)15)11-13-5-2-3-6-13/h4,7-10,12-13H,2-3,5-6,11H2,1H3,(H,19,20)
InChIKeySKZXUDGJFAZPMS-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.02
Rot. Bonds4

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

2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid (PubChem CID 115106600) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
PubChem CID115106600
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
SMILESCC(C(=O)O)c1cccc2ccn(CC3CCCC3)c12
InChIInChI=1S/C17H21NO2/c1-12(17(19)20)15-8-4-7-14-9-10-18(16(14)15)11-13-5-2-3-6-13/h4,7-10,12-13H,2-3,5-6,11H2,1H3,(H,19,20)
InChIKeySKZXUDGJFAZPMS-UHFFFAOYSA-N
XLogP4.02
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclopentylmethyl)indol-7-yl]acetic acid
CID 115106599
1-[1-(cyclopropylmethyl)indol-7-yl]ethanamine
CID 115106526
2-(1-cyclohexylindol-7-yl)propanoic acid
CID 117118656
1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol
CID 115106495
1-(cyclopentylmethyl)indol-7-amine
CID 114935809
3-[1-(cyclobutylmethyl)indol-7-yl]propanoic acid
CID 115106612
2-methyl-3-[1-(oxan-4-ylmethyl)indol-7-yl]propanoic acid
CID 115106617
1-[1-(cyclopropylmethyl)indol-7-yl]ethanone
CID 115106582
2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid
CID 115107128
2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
CID 117118984
2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol
CID 117118879
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid?
The IUPAC name of 2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid (CID 115106600) is 2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid?
The canonical SMILES for 2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid is CC(C(=O)O)c1cccc2ccn(CC3CCCC3)c12.
What is the InChIKey of 2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid?
The InChIKey is SKZXUDGJFAZPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(17(19)20)15-8-4-7-14-9-10-18(16(14)15)11-13-5-2-3-6-13/h4,7-10,12-13H,2-3,5-6,11H2,1H3,(H,19,20).
What are the key properties of 2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid?
2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 4.02, 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]propanoic acid is sourced from PubChem (CID 115106600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).