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A1BOH

Summary
Name:N-{(3S)-1-[(2-methoxyphenyl)acetyl]pyrrolidin-3-yl}urea
Formula:C14 H19 N3 O3
Formal charge:0
Formula weight:277.319 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-{(3S)-1-[(2-methoxyphenyl)acetyl]pyrrolidin-3-yl}urea
OpenEye OEToolkits3.1.0.01-[(3~{R})-1-[2-(2-methoxyphenyl)ethanoyl]pyrrolidin-3-yl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1OC)N1CCC(NC(N)=O)C1
InChIInChI1.06InChI=1S/C14H19N3O3/c1-20-12-5-3-2-4-10(12)8-13(18)17-7-6-11(9-17)16-14(15)19/h2-5,11H,6-9H2,1H3,(H3,15,16,19)
InChIKeyInChI1.06GQYBHVCKCWFZQQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1CC(=O)N2CC[C@H](C2)NC(N)=O
SMILESCACTVS3.385COc1ccccc1CC(=O)N2CC[CH](C2)NC(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccccc1CC(=O)N2CC[C@H](C2)NC(=O)N
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1CC(=O)N2CCC(C2)NC(=O)N

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PDB entries from 2026-02-04

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