2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid

C15H15NO4 — CID 175668471

IUPAC2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid
SMILESO=C(O)C(C1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H15NO4/c17-13-10-7-3-4-8-11(10)14(18)16(13)12(15(19)20)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,19,20)
InChIKeyXHDGSNLXEGRYCG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.93
Rot. Bonds3

About 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid

2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid (PubChem CID 175668471) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid
PubChem CID175668471
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid
SMILESO=C(O)C(C1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H15NO4/c17-13-10-7-3-4-8-11(10)14(18)16(13)12(15(19)20)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,19,20)
InChIKeyXHDGSNLXEGRYCG-UHFFFAOYSA-N
XLogP1.93
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.93
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

(2S)-2-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)acetic acid
CID 172878120
2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid
CID 61015441
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 5024298
2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid
CID 58136304
2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione
CID 59383059
(2R)-N-[(S)-cyclopentyl(phenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1325904
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-[(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-1,2-oxazolidin-5-yl]acetic acid
CID 22816565
2-(1-cyclohexyl-3-methoxypropyl)isoindole-1,3-dione
CID 21460532
(2R)-2-cyclohexyl-2-(3-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 142021732
(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid
CID 147592244

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid?
The IUPAC name of 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid (CID 175668471) is 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid?
The canonical SMILES for 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid is O=C(O)C(C1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid?
The InChIKey is XHDGSNLXEGRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-13-10-7-3-4-8-11(10)14(18)16(13)12(15(19)20)9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2,(H,19,20).
What are the key properties of 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid?
2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid is sourced from PubChem (CID 175668471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).