[(3S)-2,5-dioxopyrrolidin-3-yl] acetate

C6H7NO4 — CID 10931693

IUPAC[(3S)-2,5-dioxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)NC1=O
InChIInChI=1S/C6H7NO4/c1-3(8)11-4-2-5(9)7-6(4)10/h4H,2H2,1H3,(H,7,9,10)/t4-/m0/s1
InChIKeyKRXMGHKXMIMNNT-BYPYZUCNSA-N
MW157.12 g/mol
LogP-1.04
Rot. Bonds1

About [(3S)-2,5-dioxopyrrolidin-3-yl] acetate

[(3S)-2,5-dioxopyrrolidin-3-yl] acetate (PubChem CID 10931693) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is [(3S)-2,5-dioxopyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-2,5-dioxopyrrolidin-3-yl] acetate
PubChem CID10931693
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name[(3S)-2,5-dioxopyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CC(=O)NC1=O
InChIInChI=1S/C6H7NO4/c1-3(8)11-4-2-5(9)7-6(4)10/h4H,2H2,1H3,(H,7,9,10)/t4-/m0/s1
InChIKeyKRXMGHKXMIMNNT-BYPYZUCNSA-N
XLogP-1.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3S)-2,5-dioxopyrrolidin-3-yl] acetate with MolForge

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

Launch Full Analysis

Related Compounds

Trifluoroacetoxysuccinimide
CID 69027855
2,5-Dioxopyrrolidin-3-yl acetate
CID 10866587
Bromo acetoxysuccinimide
CID 19782836
Bromoaceto xysuccinimide
CID 88467725
Chloromethylcarbonyloxysuccinimide
CID 129892112
(3,4,4-Trifluoro-2,5-dioxopyrrolidin-3-yl) acetate
CID 69027856
(Acetoxyacetoxy)succinimide
CID 129816893
(r)-1-Methyl-2,5-dioxopyrrolidin-3-yl acetate
CID 129823376
[(3S)-2,5-dioxo-1-phosphanylpyrrolidin-3-yl] acetate
CID 134864151
(4-Acetyloxy-2,5-dioxopyrrolidin-3-yl) acetate
CID 4695300
3-Ethoxypyrrolidine-2,5-dione
CID 12333214
3-Methoxypyrrolidine-2,5-dione
CID 12550584

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,5-dioxopyrrolidin-3-yl] acetate?
The IUPAC name of [(3S)-2,5-dioxopyrrolidin-3-yl] acetate (CID 10931693) is [(3S)-2,5-dioxopyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3S)-2,5-dioxopyrrolidin-3-yl] acetate?
The canonical SMILES for [(3S)-2,5-dioxopyrrolidin-3-yl] acetate is CC(=O)O[C@H]1CC(=O)NC1=O.
What is the InChIKey of [(3S)-2,5-dioxopyrrolidin-3-yl] acetate?
The InChIKey is KRXMGHKXMIMNNT-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7NO4/c1-3(8)11-4-2-5(9)7-6(4)10/h4H,2H2,1H3,(H,7,9,10)/t4-/m0/s1.
What are the key properties of [(3S)-2,5-dioxopyrrolidin-3-yl] acetate?
[(3S)-2,5-dioxopyrrolidin-3-yl] acetate has a molecular weight of 157.12 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,5-dioxopyrrolidin-3-yl] acetate is sourced from PubChem (CID 10931693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).