(3aR,6aS)-tert-butyl 5-(5-(benzyloxy)pyridin-3-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

HCID 44190044
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CN(c3cncc(OCc4ccccc4)c3)C[C@@H]2C1
InChIKey
NKCZQANIFBZPQO-KDURUIRLSA-N
Molecular formula
C23H29N3O3
Average molar mass
395.5 g/mol
Monoisotopic mass
395.2208918

Names & identifiers

Preferred name
(3aR,6aS)-tert-butyl 5-(5-(benzyloxy)pyridin-3-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
IUPAC
tert-butyl (3aS,6aR)-2-(5-phenylmethoxy-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate

Names & synonyms

SCHEMBL652088NKCZQANIFBZPQO-KDURUIRLSA-N(3aR,6aS)-tert-butyl 5-(5-(benzyloxy)pyridin-3-yl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

Database identifiers

PubChem CID
44190044

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
54.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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