1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

C13H13ClN2O4 — CID 168690528

IUPAC1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(N2CC(C(=O)O)CC2=O)cc1Cl
InChIInChI=1S/C13H13ClN2O4/c1-7(17)15-11-3-2-9(5-10(11)14)16-6-8(13(19)20)4-12(16)18/h2-3,5,8H,4,6H2,1H3,(H,15,17)(H,19,20)
InChIKeySRZAPKDYSDMCNS-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.74
Rot. Bonds3

About 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168690528) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168690528
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(N2CC(C(=O)O)CC2=O)cc1Cl
InChIInChI=1S/C13H13ClN2O4/c1-7(17)15-11-3-2-9(5-10(11)14)16-6-8(13(19)20)4-12(16)18/h2-3,5,8H,4,6H2,1H3,(H,15,17)(H,19,20)
InChIKeySRZAPKDYSDMCNS-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-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696123
N-[4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168503717
1-(2-acetamido-5-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690527
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
N-[4-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-chlorophenyl]acetamide
CID 168655984
N-(2-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4779713
1-(4-acetamido-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696117
1-[3-chloro-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692129
(3S)-1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076252
1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50874094
1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50948586
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168690528) is 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is CC(=O)Nc1ccc(N2CC(C(=O)O)CC2=O)cc1Cl.
What is the InChIKey of 1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is SRZAPKDYSDMCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-7(17)15-11-3-2-9(5-10(11)14)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-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-acetamido-3-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-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168690528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).