methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate

C12H14N2O6 — CID 155803355

IUPACmethyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(CN1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C12H14N2O6/c1-20-12(19)7(14-10(17)4-5-11(14)18)6-13-8(15)2-3-9(13)16/h7H,2-6H2,1H3
InChIKeyIBLCGCAXEDDMNX-UHFFFAOYSA-N
MW282.25 g/mol
LogP-1.17
Rot. Bonds4

About methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate

methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate (PubChem CID 155803355) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate
PubChem CID155803355
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Namemethyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(CN1C(=O)CCC1=O)N1C(=O)CCC1=O
InChIInChI=1S/C12H14N2O6/c1-20-12(19)7(14-10(17)4-5-11(14)18)6-13-8(15)2-3-9(13)16/h7H,2-6H2,1H3
InChIKeyIBLCGCAXEDDMNX-UHFFFAOYSA-N
XLogP-1.17
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate 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 methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate (CID 155803355) is methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate is COC(=O)C(CN1C(=O)CCC1=O)N1C(=O)CCC1=O.
What is the InChIKey of methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate?
The InChIKey is IBLCGCAXEDDMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-20-12(19)7(14-10(17)4-5-11(14)18)6-13-8(15)2-3-9(13)16/h7H,2-6H2,1H3.
What are the key properties of methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate?
methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate has a molecular weight of 282.25 g/mol, XLogP of -1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 155803355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).