2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid

C16H17NO4 — CID 60919511

IUPAC2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(CCC1CCCC1)C2=O
InChIInChI=1S/C16H17NO4/c18-14-12-6-5-11(16(20)21)9-13(12)15(19)17(14)8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,20,21)
InChIKeyGOAJZEQUFBFXNX-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid

2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 60919511) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID60919511
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(CCC1CCCC1)C2=O
InChIInChI=1S/C16H17NO4/c18-14-12-6-5-11(16(20)21)9-13(12)15(19)17(14)8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,20,21)
InChIKeyGOAJZEQUFBFXNX-UHFFFAOYSA-N
XLogP2.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylic acid
CID 789609
2-(2-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 62359996
2-[2-(diethylamino)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 16645408
2-[3-(dimethylamino)propyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 9079192
2-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 2148149
2-[(1R)-2-(cyclohexylmethoxy)-1-phenylethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 139789667
2-[2-[ethyl(methyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 62640206
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid
CID 755791
2-[2-(methanesulfonamido)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 43546286
4,5-dimethoxy-2-[[2-[2-(oxan-4-yl)ethyl]-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
CID 17342143
2-[2-(1-phenylpiperidin-4-yl)ethyl]isoindole-1,3-dione
CID 166451914

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid (CID 60919511) is 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(CCC1CCCC1)C2=O.
What is the InChIKey of 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is GOAJZEQUFBFXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-14-12-6-5-11(16(20)21)9-13(12)15(19)17(14)8-7-10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H,20,21).
What are the key properties of 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid?
2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 60919511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).