1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

C13H13ClN2O4 — CID 168690527

IUPAC1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(Cl)cc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H13ClN2O4/c1-7(17)15-10-3-2-9(14)5-11(10)16-6-8(13(19)20)4-12(16)18/h2-3,5,8H,4,6H2,1H3,(H,15,17)(H,19,20)
InChIKeyZQXHFKMYNWMFHP-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.74
Rot. Bonds3

About 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690527) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690527
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(Cl)cc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C13H13ClN2O4/c1-7(17)15-10-3-2-9(14)5-11(10)16-6-8(13(19)20)4-12(16)18/h2-3,5,8H,4,6H2,1H3,(H,15,17)(H,19,20)
InChIKeyZQXHFKMYNWMFHP-UHFFFAOYSA-N
XLogP1.74
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50948586
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690528
1-(2-bromo-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 81262940
1-(5-chloro-2-sulfanylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691682
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
methyl 1-(2-acetamido-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693037
methyl 1-(4-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693419
N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061
1-(3-chloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691584
(3R)-N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8780130
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696123

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168690527) is 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is CC(=O)Nc1ccc(Cl)cc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ZQXHFKMYNWMFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-7(17)15-10-3-2-9(14)5-11(10)16-6-8(13(19)20)4-12(16)18/h2-3,5,8H,4,6H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 296.71 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).