2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid

C22H21NO4 — CID 58136304

IUPAC2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid
SMILESO=C(O)C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)C1CCCC1
InChIInChI=1S/C22H21NO4/c24-20-17-7-3-4-8-18(17)21(25)23(20)13-14-9-11-16(12-10-14)19(22(26)27)15-5-1-2-6-15/h3-4,7-12,15,19H,1-2,5-6,13H2,(H,26,27)
InChIKeyCMQUSSPDBMCALG-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.84
Rot. Bonds5

About 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid

2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid (PubChem CID 58136304) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid
PubChem CID58136304
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid
SMILESO=C(O)C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)C1CCCC1
InChIInChI=1S/C22H21NO4/c24-20-17-7-3-4-8-18(17)21(25)23(20)13-14-9-11-16(12-10-14)19(22(26)27)15-5-1-2-6-15/h3-4,7-12,15,19H,1-2,5-6,13H2,(H,26,27)
InChIKeyCMQUSSPDBMCALG-UHFFFAOYSA-N
XLogP3.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.84
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-(cyclohexylamino)-1-oxopropan-2-yl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 55545613
N-(1-cyclopropylethyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]-N-methylbenzamide
CID 134050942
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)acetic acid
CID 175668471
2-(4-butan-2-ylphenyl)-2-cyclopentylacetic acid
CID 82484792
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-2-benzylisoindole-1,3-dione
CID 119434913
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
4-[2-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]piperidine-1-carboxylic acid
CID 141303529
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
(1-benzylpyrrolidin-3-yl) 2-cyclopentyl-2-phenylacetate
CID 117065975
2-[[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]methyl]isoindole-1,3-dione
CID 32912923

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid (CID 58136304) is 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid is O=C(O)C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid?
The InChIKey is CMQUSSPDBMCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c24-20-17-7-3-4-8-18(17)21(25)23(20)13-14-9-11-16(12-10-14)19(22(26)27)15-5-1-2-6-15/h3-4,7-12,15,19H,1-2,5-6,13H2,(H,26,27).
What are the key properties of 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid?
2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 58136304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).