methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate

C11H14N2O4 — CID 115071530

IUPACmethyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1C2C(=O)N(C3CCNC3)C(=O)C12
InChIInChI=1S/C11H14N2O4/c1-17-11(16)8-6-7(8)10(15)13(9(6)14)5-2-3-12-4-5/h5-8,12H,2-4H2,1H3
InChIKeyVGKVMMHMOWSFMT-UHFFFAOYSA-N
MW238.24 g/mol
LogP-1.25
Rot. Bonds2

About methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate

methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 115071530) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID115071530
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1C2C(=O)N(C3CCNC3)C(=O)C12
InChIInChI=1S/C11H14N2O4/c1-17-11(16)8-6-7(8)10(15)13(9(6)14)5-2-3-12-4-5/h5-8,12H,2-4H2,1H3
InChIKeyVGKVMMHMOWSFMT-UHFFFAOYSA-N
XLogP-1.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate with MolForge

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Related Compounds

methyl 3-(aminomethyl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071536
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
methyl 6-oxo-2,3,4,5,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate
CID 175920656
1-pyrrolidin-3-ylazepane-2,7-dione
CID 62329466
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
methyl (3S)-4-oxopiperidine-3-carboxylate
CID 7005146
methyl 1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxylate
CID 97297705
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
methyl (8S)-5-[(Z)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-6-oxo-2,3,4,5,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a][1,5]diazocine-8-carboxylate
CID 155152709

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate (CID 115071530) is methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate is COC(=O)C1C2C(=O)N(C3CCNC3)C(=O)C12.
What is the InChIKey of methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is VGKVMMHMOWSFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-11(16)8-6-7(8)10(15)13(9(6)14)5-2-3-12-4-5/h5-8,12H,2-4H2,1H3.
What are the key properties of methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate?
methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 238.24 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dioxo-3-pyrrolidin-3-yl-3-azabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 115071530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).