Tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[4-(methoxycarbonyl)benzyl]pyrrolidine-1-carboxylate

HCID 68396456

Basic information

Standard SMILES
COC(=O)c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2C(=O)OC(C)(C)C)cc1
InChIKey
STDMMEMNTZAJLX-PWRODBHTSA-N
Molecular formula
C24H30N2O5
Average molar mass
426.5 g/mol

Names & identifiers

Preferred name
Tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[4-(methoxycarbonyl)benzyl]pyrrolidine-1-carboxylate
IUPAC
tert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL12835898STDMMEMNTZAJLX-PWRODBHTSA-NTert-butyl (2R,5S)-2-[(R)-hydroxy(pyridin-3-yl)methyl]-5-[4-(methoxycarbonyl)benzyl]pyrrolidine-1-carboxylate

Database identifiers

PubChem CID
68396456

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
89 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
31

Related reactions

4 records

Compound notes

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