3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid

C18H23NO2 — CID 117119019

IUPAC3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid
SMILESCC(CC(=O)O)c1cc2ccccc2n1CC1CCCC1
InChIInChI=1S/C18H23NO2/c1-13(10-18(20)21)17-11-15-8-4-5-9-16(15)19(17)12-14-6-2-3-7-14/h4-5,8-9,11,13-14H,2-3,6-7,10,12H2,1H3,(H,20,21)
InChIKeyCUTIFMHSCJHPAJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.41
Rot. Bonds5

About 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid

3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid (PubChem CID 117119019) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid
PubChem CID117119019
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid
SMILESCC(CC(=O)O)c1cc2ccccc2n1CC1CCCC1
InChIInChI=1S/C18H23NO2/c1-13(10-18(20)21)17-11-15-8-4-5-9-16(15)19(17)12-14-6-2-3-7-14/h4-5,8-9,11,13-14H,2-3,6-7,10,12H2,1H3,(H,20,21)
InChIKeyCUTIFMHSCJHPAJ-UHFFFAOYSA-N
XLogP4.41
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclobutylmethyl)indol-2-yl]propanoic acid
CID 115107128
2-[1-(cyclopropylmethyl)indol-2-yl]acetic acid
CID 115107125
3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid
CID 90142997
(3R)-3-hydroxy-3-(1-methylindol-2-yl)propanoic acid
CID 96609351
1-[1-(cyclopropylmethyl)indol-2-yl]-N-methylpropan-2-amine
CID 115107082
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877
1-(cyclopropylmethyl)-N-[(3R)-3-hydroxypentyl]indole-2-carboxamide
CID 124851434
2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
CID 115106600
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
1-(1-hydroxyindol-2-yl)ethylurea
CID 19846317

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid?
The IUPAC name of 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid (CID 117119019) is 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid.
What is the SMILES notation for 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid?
The canonical SMILES for 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid is CC(CC(=O)O)c1cc2ccccc2n1CC1CCCC1.
What is the InChIKey of 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid?
The InChIKey is CUTIFMHSCJHPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(10-18(20)21)17-11-15-8-4-5-9-16(15)19(17)12-14-6-2-3-7-14/h4-5,8-9,11,13-14H,2-3,6-7,10,12H2,1H3,(H,20,21).
What are the key properties of 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid?
3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid is sourced from PubChem (CID 117119019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).