3-(3-Cyclopentyloxy-4-methoxyphenyl)-3-phthalimidopropanoic acid

HCID 9801613

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(C(CC(=O)O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1
InChIKey: OHOXTJAQCQVJEZ-UHFFFAOYSA-N
Molecular formula: C23H23NO6
Average molar mass: 409.4 g/mol

Names & identifiers

Preferred name: 3-(3-Cyclopentyloxy-4-methoxyphenyl)-3-phthalimidopropanoic acid
IUPAC: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoic acid

Names & synonyms

192819-25-3CHEMBL515728SCHEMBL4637167OHOXTJAQCQVJEZ-UHFFFAOYSA-N3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-phthalimidopropanoic acid3-(3-cyclopentyloxy-4-methoxyphenyl)-3-phthalimidopropanoic acid3-phthalimido-3-(3-cyclopentyloxy-4-methoxyphenyl)propionic acid3-(3-(cyclopentyloxy)-4-methoxyphenyl)-3-(1,3-dioxoisoindolin-2-yl)propanoic acid3-(3-(cyclopentyloxy)-4-methoxyphenyl)-3-(1,3-dioxoisoindolin-2-yl)propanoic acid?

Database identifiers

PubChem CID: 9801613
ChEMBL: CHEMBL515728

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 93.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 0
Complexity: 636

Related reactions

9 records

New reaction record

HRID 2348As reactantuspto-grants-1998_03

HRID 9829As productuspto-grants-2006_08

HRID 9830As reactantuspto-grants-2006_08

HRID 323720As productuspto-grants-2001_04

HRID 323721As reactantuspto-grants-2001_04

HRID 431098As productuspto-grants-2003_12

HRID 431099As reactantuspto-grants-2003_12

HRID 667536As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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