2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid

C24H25ClN2O4 — CID 166220482

IUPAC2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CCCC2)C1=O
InChIInChI=1S/C24H25ClN2O4/c25-18-10-6-9-17(15-18)24(12-4-5-13-24)23(31)26-19-11-14-27(21(19)28)20(22(29)30)16-7-2-1-3-8-16/h1-3,6-10,15,19-20H,4-5,11-14H2,(H,26,31)(H,29,30)
InChIKeyRXZHZPKJRWZWAH-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.69
Rot. Bonds6

About 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid

2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid (PubChem CID 166220482) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid
PubChem CID166220482
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CCCC2)C1=O
InChIInChI=1S/C24H25ClN2O4/c25-18-10-6-9-17(15-18)24(12-4-5-13-24)23(31)26-19-11-14-27(21(19)28)20(22(29)30)16-7-2-1-3-8-16/h1-3,6-10,15,19-20H,4-5,11-14H2,(H,26,31)(H,29,30)
InChIKeyRXZHZPKJRWZWAH-UHFFFAOYSA-N
XLogP3.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308
1-(3-chlorophenyl)-N-piperidin-4-ylcyclohexane-1-carboxamide
CID 119387766
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[1-[(3-chlorophenyl)-(3-hydroxyphenyl)methyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 18433521
6-[1-(3-chlorophenyl)cyclopentanecarbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174947
[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119638687
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 94121152
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
6-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 53432432
tert-butyl 4-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]piperidine-1-carboxylate
CID 52731080
[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid?
The IUPAC name of 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid (CID 166220482) is 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid.
What is the SMILES notation for 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid?
The canonical SMILES for 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CCCC2)C1=O.
What is the InChIKey of 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid?
The InChIKey is RXZHZPKJRWZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4/c25-18-10-6-9-17(15-18)24(12-4-5-13-24)23(31)26-19-11-14-27(21(19)28)20(22(29)30)16-7-2-1-3-8-16/h1-3,6-10,15,19-20H,4-5,11-14H2,(H,26,31)(H,29,30).
What are the key properties of 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid?
2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid has a molecular weight of 440.93 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-2-oxopyrrolidin-1-yl]-2-phenylacetic acid is sourced from PubChem (CID 166220482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).