tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate

C10H15NO4 — CID 57372572

IUPACtert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate
SMILESC[C@@H]1C(=O)CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-6-7(12)5-8(13)11(6)9(14)15-10(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyXLXSMICXDWTYCA-ZCFIWIBFSA-N
MW213.23 g/mol
LogP1.11
Rot. Bonds

About tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate

tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate (PubChem CID 57372572) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate
PubChem CID57372572
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate
SMILESC[C@@H]1C(=O)CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H15NO4/c1-6-7(12)5-8(13)11(6)9(14)15-10(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyXLXSMICXDWTYCA-ZCFIWIBFSA-N
XLogP1.11
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate (CID 57372572) is tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate is C[C@@H]1C(=O)CC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate?
The InChIKey is XLXSMICXDWTYCA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-7(12)5-8(13)11(6)9(14)15-10(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate?
tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate is sourced from PubChem (CID 57372572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).