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A1B5N

Summary
Name:(3S)-N~1~-methyl-N~1~-(3-methylphenyl)pyrrolidine-1,3-dicarboxamide
Formula:C14 H19 N3 O2
Formal charge:0
Formula weight:261.32 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-N~1~-methyl-N~1~-(3-methylphenyl)pyrrolidine-1,3-dicarboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-~{N}1-methyl-~{N}1-(3-methylphenyl)pyrrolidine-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(N)C1CCN(C1)C(=O)N(C)c1cc(C)ccc1
InChIInChI1.06InChI=1S/C14H19N3O2/c1-10-4-3-5-12(8-10)16(2)14(19)17-7-6-11(9-17)13(15)18/h3-5,8,11H,6-7,9H2,1-2H3,(H2,15,18)/t11-/m0/s1
InChIKeyInChI1.06SACRPFIJTOHFAQ-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385CN(C(=O)N1CC[C@@H](C1)C(N)=O)c2cccc(C)c2
SMILESCACTVS3.385CN(C(=O)N1CC[CH](C1)C(N)=O)c2cccc(C)c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1cccc(c1)N(C)C(=O)N2CC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1cccc(c1)N(C)C(=O)N2CCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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