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

C16H19NO3 — CID 107175900

IUPAC2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCC1CCCC1C(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C16H19NO3/c1-10-3-2-4-14(10)15(18)17-8-12-6-5-11(16(19)20)7-13(12)9-17/h5-7,10,14H,2-4,8-9H2,1H3,(H,19,20)
InChIKeyACOQGEOQGIWEIS-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.66
Rot. Bonds2

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

2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 107175900) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID107175900
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
SMILESCC1CCCC1C(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C16H19NO3/c1-10-3-2-4-14(10)15(18)17-8-12-6-5-11(16(19)20)7-13(12)9-17/h5-7,10,14H,2-4,8-9H2,1H3,(H,19,20)
InChIKeyACOQGEOQGIWEIS-UHFFFAOYSA-N
XLogP2.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997295
2-(cyclohexanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997148
2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999798
2-(3-methoxycyclobutanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 136556441
2-(2-cyclopentylacetyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997300
2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999984
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 69041392
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997266
2-[methyl(propyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999710
2-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095795
2-[(2S)-1-acetylpyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 166317438
2-[2-(oxan-2-yl)acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997329

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid (CID 107175900) is 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid is CC1CCCC1C(=O)N1Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is ACOQGEOQGIWEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-3-2-4-14(10)15(18)17-8-12-6-5-11(16(19)20)7-13(12)9-17/h5-7,10,14H,2-4,8-9H2,1H3,(H,19,20).
What are the key properties of 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid?
2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 107175900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).