4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromo-phenyl)-2-oxo-ethyl]ester 1-tert-butyl ester

HCID 66620900
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC(O)CC1C(=O)OCC(=O)c1ccc(Br)cc1
InChIKey
PMRLJSGWFLCNEF-UHFFFAOYSA-N
Molecular formula
C18H22BrNO6
Average molar mass
428.3 g/mol

Names & identifiers

Preferred name
4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromo-phenyl)-2-oxo-ethyl]ester 1-tert-butyl ester
IUPAC
2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl 4-hydroxypyrrolidine-1,2-dicarboxylate

Names & synonyms

SCHEMBL205090PMRLJSGWFLCNEF-UHFFFAOYSA-N4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-[2-(4-bromo-phenyl)-2-oxo-ethyl]ester 1-tert-butyl ester

Database identifiers

PubChem CID
66620900

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
93.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
26

Related reactions

9 records
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Linked notes

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