4-(2,2-Dimethylpropionyloxy)pyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester

HCID 20724751
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC(OC(=O)C(C)(C)C)CN1C(=O)OCc1ccccc1
InChIKey
SCFGHDIKKZVWMU-UHFFFAOYSA-N
Molecular formula
C21H30N2O6
Average molar mass
406.5 g/mol

Names & identifiers

Preferred name
4-(2,2-Dimethylpropionyloxy)pyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester
IUPAC
1-O-benzyl 2-O-tert-butyl 4-(2,2-dimethylpropanoyloxy)pyrazolidine-1,2-dicarboxylate

Names & synonyms

SCHEMBL4850720SCFGHDIKKZVWMU-UHFFFAOYSA-N4-(2,2-dimethylpropionyloxy)pyrazolidine-1,2-dicarboxylic acid 1-benzyl ester 2-tert-butyl ester

Database identifiers

PubChem CID
20724751

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
85.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
29

Related reactions

12 records
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Compound notes

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