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

C17H18FNO4 — CID 118760214

IUPAC2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C17H18FNO4/c18-12-5-3-4-11(8-12)17(10-15(21)22)9-14(20)19(16(17)23)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,21,22)
InChIKeyYYMLVWKPERXYEX-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.24
Rot. Bonds4

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

2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid (PubChem CID 118760214) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
PubChem CID118760214
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
SMILESO=C(O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C17H18FNO4/c18-12-5-3-4-11(8-12)17(10-15(21)22)9-14(20)19(16(17)23)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,21,22)
InChIKeyYYMLVWKPERXYEX-UHFFFAOYSA-N
XLogP2.24
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.24
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-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45172329
methyl 1-[2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-4-carboxylate
CID 45177865
ethyl 2-[(2S)-1-[2-[(3S)-1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]piperidin-2-yl]acetate
CID 42382945
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 45187432
2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118759644
3-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 45171591
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylacetamide
CID 126464256
2-[(3R)-1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3R)-oxolan-3-yl]acetamide
CID 42345731
2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide
CID 45197329
1-cyclopentyl-3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 126464088
(3R)-1-cyclopropyl-3-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 26341961
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 42369572

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid (CID 118760214) is 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid is O=C(O)CC1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
The InChIKey is YYMLVWKPERXYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c18-12-5-3-4-11(8-12)17(10-15(21)22)9-14(20)19(16(17)23)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10H2,(H,21,22).
What are the key properties of 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid?
2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid has a molecular weight of 319.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-3-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 118760214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).