dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate

C9H11NO6 — CID 125471699

IUPACdimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C9H11NO6/c1-15-8(13)6(9(14)16-2)4-3-5(11)10-7(4)12/h4,6H,3H2,1-2H3,(H,10,11,12)/t4-/m1/s1
InChIKeyQZCZQELGVNORNE-SCSAIBSYSA-N
MW229.19 g/mol
LogP-1.39
Rot. Bonds3

About dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate

dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate (PubChem CID 125471699) has the molecular formula C9H11NO6 and a molecular weight of 229.19 g/mol. Its IUPAC name is dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate
PubChem CID125471699
Molecular FormulaC9H11NO6
Molecular Weight229.19 g/mol
Exact Mass229.06
IUPAC Namedimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@H]1CC(=O)NC1=O
InChIInChI=1S/C9H11NO6/c1-15-8(13)6(9(14)16-2)4-3-5(11)10-7(4)12/h4,6H,3H2,1-2H3,(H,10,11,12)/t4-/m1/s1
InChIKeyQZCZQELGVNORNE-SCSAIBSYSA-N
XLogP-1.39
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione
CID 71614352
dimethyl 2-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]propanedioate
CID 102195552
dimethyl 2-[(3R)-1-methyl-2,5-dioxopyrrolidin-3-yl]propanedioate
CID 125471780
methyl 3-oxo-2-(5-oxopyrrolidin-2-yl)butanoate
CID 11830410
1-(2,5-dioxopyrrolidin-3-yl)ethyl 2-methylprop-2-enoate
CID 141166852
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456
dimethyl 2-[(1S)-2-oxocycloheptyl]propanedioate
CID 101252354
3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione
CID 67153157
2-[(2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 43637912
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615
methyl 2-cyclopropyl-2-(2-methyl-3,5-dioxopiperazin-1-yl)acetate
CID 66061767

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate?
The IUPAC name of dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate (CID 125471699) is dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate?
The canonical SMILES for dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate is COC(=O)C(C(=O)OC)[C@H]1CC(=O)NC1=O.
What is the InChIKey of dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate?
The InChIKey is QZCZQELGVNORNE-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H11NO6/c1-15-8(13)6(9(14)16-2)4-3-5(11)10-7(4)12/h4,6H,3H2,1-2H3,(H,10,11,12)/t4-/m1/s1.
What are the key properties of dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate?
dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate has a molecular weight of 229.19 g/mol, XLogP of -1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3R)-2,5-dioxopyrrolidin-3-yl]propanedioate is sourced from PubChem (CID 125471699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).