(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate

C10H16N2O4S — CID 122469997

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate
SMILESCNC(CCSC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O4S/c1-11-7(5-6-17-2)10(15)16-12-8(13)3-4-9(12)14/h7,11H,3-6H2,1-2H3
InChIKeyGSXDAUXKPXVJSJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.07
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate

(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate (PubChem CID 122469997) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate
PubChem CID122469997
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate
SMILESCNC(CCSC)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O4S/c1-11-7(5-6-17-2)10(15)16-12-8(13)3-4-9(12)14/h7,11H,3-6H2,1-2H3
InChIKeyGSXDAUXKPXVJSJ-UHFFFAOYSA-N
XLogP-0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate 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 (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate (CID 122469997) is (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate is CNC(CCSC)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate?
The InChIKey is GSXDAUXKPXVJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-11-7(5-6-17-2)10(15)16-12-8(13)3-4-9(12)14/h7,11H,3-6H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate?
(2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate has a molecular weight of 260.31 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-(methylamino)-4-methylsulfanylbutanoate is sourced from PubChem (CID 122469997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).