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4-Methylene-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester

HCID 18967904
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C1CC(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIKey
YGOWHMIOSLSPJC-UHFFFAOYSA-N
Molecular formula
C15H25NO4
Average molar mass
283.36 g/mol

Names & identifiers

Preferred name
4-Methylene-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester
IUPAC
ditert-butyl 4-methylidenepyrrolidine-1,2-dicarboxylate

Names & synonyms

SCHEMBL2009986YGOWHMIOSLSPJC-UHFFFAOYSA-N4-methylene-pyrrolidine-1,2-dicarboxylic acid di-tert-butyl ester

Database identifiers

PubChem CID
18967904

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
415

Related reactions

3 records
New reaction record
HRID 286933 reaction equation
HRID 286933As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1147711 reaction equation
HRID 1147711As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1442972 reaction equation
HRID 1442972As reactantuspto-grants-2010_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes