2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid

C12H11NO4S — CID 2732735

IUPAC2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid
SMILESO=C(O)CSC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H11NO4S/c14-10-6-9(18-7-11(15)16)12(17)13(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)
InChIKeyYTNPLWOAHMUJEA-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.14
Rot. Bonds4

About 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid

2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid (PubChem CID 2732735) has the molecular formula C12H11NO4S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid
PubChem CID2732735
Molecular FormulaC12H11NO4S
Molecular Weight265.29 g/mol
Exact Mass265.04
IUPAC Name2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid
SMILESO=C(O)CSC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C12H11NO4S/c14-10-6-9(18-7-11(15)16)12(17)13(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)
InChIKeyYTNPLWOAHMUJEA-UHFFFAOYSA-N
XLogP1.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.14
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

Succinanil
CID 66519
3-(2,5-Dioxo-1-phenylazolidin-3-ylthio)propanoic acid
CID 2732737
3-Phenyl-2,4-thiazolidinedione
CID 221043
3-[(2-Aminoethyl)thio]-1-(4-fluorophenyl)-2,5-pyrrolidinedione hydrochloride
CID 17369996
2-[(2-Anilino-2-Oxoethyl)Sulfanyl]Acetic Acid
CID 737673
{[1-(3,4-Dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}acetic acid
CID 660187
{[1-(3-Chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]thio}acetic acid
CID 2827720
3-[(2-Hydroxyethyl)thio]-1-phenyl-2,5-pyrrolidinedione
CID 2979343
2-[(2-Anilino-2-oxoethyl)thio]butanedioic acid
CID 4969701
[(Diphenylcarbamoyl)-methylsulfanyl]-acetic acid
CID 787666
[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-acetic acid
CID 2827707
[1-(4-Fluoro-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-acetic acid
CID 2877333

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid?
The IUPAC name of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid (CID 2732735) is 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid?
The canonical SMILES for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid is O=C(O)CSC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid?
The InChIKey is YTNPLWOAHMUJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S/c14-10-6-9(18-7-11(15)16)12(17)13(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16).
What are the key properties of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid?
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid has a molecular weight of 265.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetic acid is sourced from PubChem (CID 2732735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).