[(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate

C11H15NO4 — CID 70435112

IUPAC[(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate
SMILESCCCC(=O)O[C@@H]1C[C@H]2CCC(=O)N2C1=O
InChIInChI=1S/C11H15NO4/c1-2-3-10(14)16-8-6-7-4-5-9(13)12(7)11(8)15/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyYUGCVKOMBOAGFH-HTQZYQBOSA-N
MW225.24 g/mol
LogP0.62
Rot. Bonds3

About [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate

[(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate (PubChem CID 70435112) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate.

Molecular Properties

Compound Name[(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate
PubChem CID70435112
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name[(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate
SMILESCCCC(=O)O[C@@H]1C[C@H]2CCC(=O)N2C1=O
InChIInChI=1S/C11H15NO4/c1-2-3-10(14)16-8-6-7-4-5-9(13)12(7)11(8)15/h7-8H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyYUGCVKOMBOAGFH-HTQZYQBOSA-N
XLogP0.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate 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 [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate?
The IUPAC name of [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate (CID 70435112) is [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate.
What is the SMILES notation for [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate?
The canonical SMILES for [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate is CCCC(=O)O[C@@H]1C[C@H]2CCC(=O)N2C1=O.
What is the InChIKey of [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate?
The InChIKey is YUGCVKOMBOAGFH-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15NO4/c1-2-3-10(14)16-8-6-7-4-5-9(13)12(7)11(8)15/h7-8H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate?
[(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate has a molecular weight of 225.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,8R)-3,5-dioxo-2,6,7,8-tetrahydro-1H-pyrrolizin-2-yl] butanoate is sourced from PubChem (CID 70435112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).