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A1BP2

Summary
Name:(3S,4R)-1-[(2-methoxyphenyl)acetyl]-4-methylpyrrolidine-3-carboxamide
Formula:C15 H20 N2 O3
Formal charge:0
Formula weight:276.331 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S,4R)-1-[(2-methoxyphenyl)acetyl]-4-methylpyrrolidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{R},4~{R})-1-[2-(2-methoxyphenyl)ethanoyl]-4-methyl-pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC1CN(CC1C(N)=O)C(=O)Cc1ccccc1OC
InChIInChI1.06InChI=1S/C15H20N2O3/c1-10-8-17(9-12(10)15(16)19)14(18)7-11-5-3-4-6-13(11)20-2/h3-6,10,12H,7-9H2,1-2H3,(H2,16,19)/t10-,12+/m0/s1
InChIKeyInChI1.06YUYPXSAJEYKAGG-CMPLNLGQSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1CC(=O)N2C[C@H](C)[C@H](C2)C(N)=O
SMILESCACTVS3.385COc1ccccc1CC(=O)N2C[CH](C)[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@H]1CN(C[C@@H]1C(=O)N)C(=O)Cc2ccccc2OC
SMILESOpenEye OEToolkits3.1.0.0CC1CN(CC1C(=O)N)C(=O)Cc2ccccc2OC

257629

PDB entries from 2026-08-05

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