2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid

C16H19NO3 — CID 103997300

IUPAC2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C16H19NO3/c18-15(7-11-3-1-2-4-11)17-9-13-6-5-12(16(19)20)8-14(13)10-17/h5-6,8,11H,1-4,7,9-10H2,(H,19,20)
InChIKeyAZRVEDQSODJQOS-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.81
Rot. Bonds3

About 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid

2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103997300) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103997300
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(C(=O)CC1CCCC1)C2
InChIInChI=1S/C16H19NO3/c18-15(7-11-3-1-2-4-11)17-9-13-6-5-12(16(19)20)8-14(13)10-17/h5-6,8,11H,1-4,7,9-10H2,(H,19,20)
InChIKeyAZRVEDQSODJQOS-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(oxan-2-yl)acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997329
2-(cyclohexanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997148
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997266
2-(2-propan-2-ylsulfanylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 113363473
2-(2-ethoxyacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997130
2-(3-methylsulfanylpropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 113363484
2-(3-methoxy-3-methylbutanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103019250
2-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 113363743
2-(2-pyridin-4-ylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997240
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 69041392
2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107175900

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 103997300) is 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CN(C(=O)CC1CCCC1)C2.
What is the InChIKey of 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is AZRVEDQSODJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(7-11-3-1-2-4-11)17-9-13-6-5-12(16(19)20)8-14(13)10-17/h5-6,8,11H,1-4,7,9-10H2,(H,19,20).
What are the key properties of 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103997300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).