2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid

C18H21NO5 — CID 118759644

IUPAC2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C18H21NO5/c1-24-14-8-6-12(7-9-14)18(11-16(21)22)10-15(20)19(17(18)23)13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,21,22)
InChIKeyMYQYNQSSPVLICO-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.11
Rot. Bonds5

About 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid

2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid (PubChem CID 118759644) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
PubChem CID118759644
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CC(=O)N(C3CCCC3)C2=O)cc1
InChIInChI=1S/C18H21NO5/c1-24-14-8-6-12(7-9-14)18(11-16(21)22)10-15(20)19(17(18)23)13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,21,22)
InChIKeyMYQYNQSSPVLICO-UHFFFAOYSA-N
XLogP2.11
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26351202
1-cyclopropyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 45188003
2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 42433957
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 126464410
2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 42325094
(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42455217
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118760214
2-[1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 45188217
2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
CID 42438393
1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 126464088
3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 45231454
(3R)-3-[2-[(3R)-3-acetylpiperidin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 42367901

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid (CID 118759644) is 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid is COc1ccc(C2(CC(=O)O)CC(=O)N(C3CCCC3)C2=O)cc1.
What is the InChIKey of 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The InChIKey is MYQYNQSSPVLICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-24-14-8-6-12(7-9-14)18(11-16(21)22)10-15(20)19(17(18)23)13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,21,22).
What are the key properties of 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid has a molecular weight of 331.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 118759644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).