3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid

C11H14N2O6S2 — CID 87423107

IUPAC3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid
SMILESCCC(=O)O.O=C1CC(SSC2CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C8H8N2O4S2.C3H6O2/c11-5-1-3(7(13)9-5)15-16-4-2-6(12)10-8(4)14;1-2-3(4)5/h3-4H,1-2H2,(H,9,11,13)(H,10,12,14);2H2,1H3,(H,4,5)
InChIKeyVIOPTNLZHJWISL-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.32
Rot. Bonds4

About 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid

3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid (PubChem CID 87423107) has the molecular formula C11H14N2O6S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid
PubChem CID87423107
Molecular FormulaC11H14N2O6S2
Molecular Weight334.38 g/mol
Exact Mass334.03
IUPAC Name3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid
SMILESCCC(=O)O.O=C1CC(SSC2CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C8H8N2O4S2.C3H6O2/c11-5-1-3(7(13)9-5)15-16-4-2-6(12)10-8(4)14;1-2-3(4)5/h3-4H,1-2H2,(H,9,11,13)(H,10,12,14);2H2,1H3,(H,4,5)
InChIKeyVIOPTNLZHJWISL-UHFFFAOYSA-N
XLogP-0.32
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid?
The IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid (CID 87423107) is 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid.
What is the SMILES notation for 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid?
The canonical SMILES for 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid is CCC(=O)O.O=C1CC(SSC2CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid?
The InChIKey is VIOPTNLZHJWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S2.C3H6O2/c11-5-1-3(7(13)9-5)15-16-4-2-6(12)10-8(4)14;1-2-3(4)5/h3-4H,1-2H2,(H,9,11,13)(H,10,12,14);2H2,1H3,(H,4,5).
What are the key properties of 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid?
3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid has a molecular weight of 334.38 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid is sourced from PubChem (CID 87423107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).