(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate

C9H12N2O4 — CID 98102285

IUPAC(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)[C@H]1CCCN1
InChIInChI=1S/C9H12N2O4/c12-7-3-4-8(13)11(7)15-9(14)6-2-1-5-10-6/h6,10H,1-5H2/t6-/m1/s1
InChIKeyHYBIQQATHOSXOG-ZCFIWIBFSA-N
MW212.20 g/mol
LogP-0.65
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate

(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate (PubChem CID 98102285) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate
PubChem CID98102285
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate
SMILESO=C(ON1C(=O)CCC1=O)[C@H]1CCCN1
InChIInChI=1S/C9H12N2O4/c12-7-3-4-8(13)11(7)15-9(14)6-2-1-5-10-6/h6,10H,1-5H2/t6-/m1/s1
InChIKeyHYBIQQATHOSXOG-ZCFIWIBFSA-N
XLogP-0.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
cyclopentane;(2,5-dioxopyrrolidin-1-yl) cyclopentanecarboxylate;iron
CID 133112729
CID 175049313
CID 175049313
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
CID 123220286
CID 123220286
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
ethenyl pyrrolidine-2-carboxylate
CID 77217277
(2,5-dioxopyrrolidin-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 794147
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate (CID 98102285) is (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate is O=C(ON1C(=O)CCC1=O)[C@H]1CCCN1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate?
The InChIKey is HYBIQQATHOSXOG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-7-3-4-8(13)11(7)15-9(14)6-2-1-5-10-6/h6,10H,1-5H2/t6-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate?
(2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate has a molecular weight of 212.20 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) (2R)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 98102285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).