(2S,4R)-N-Boc-4-(4-Bromobenzyloxy)-2-methyl-proline

HCID 21301005
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](OCc2ccc(Br)cc2)C[C@@]1(C)C(=O)O
InChIKey
VJJHVEMPFLOOAP-KDOFPFPSSA-N
Molecular formula
C18H24BrNO5
Average molar mass
414.3 g/mol

Names & identifiers

Preferred name
(2S,4R)-N-Boc-4-(4-Bromobenzyloxy)-2-methyl-proline
IUPAC
(2S,4R)-4-[(4-bromophenyl)methoxy]-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Names & synonyms

SCHEMBL6770180VJJHVEMPFLOOAP-KDOFPFPSSA-N(2S,4R)-N-Boc-4-(4-bromo-benzyloxy)-2-methyl-proline(2S,4R)-N-Boc-4-(4-Bromobenzyloxy)-2-methyl-proline

Database identifiers

PubChem CID
21301005

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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(2S,4R)-N-Boc-4-(4-Bromobenzyloxy)-2-methyl-proline (HCID 21301005)｜Huagongshe