Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

IBO

Summary
Name:2-METHYLPROPANAMIDE
Formula:C4 H9 N O
Formal charge:0
Formula weight:87.12 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-methylpropanamide
OpenEye OEToolkits1.5.02-methylpropanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)C(N)=O
SMILESCACTVS3.341CC(C)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)C(=O)N
SMILESOpenEye OEToolkits1.5.0CC(C)C(=O)N
InChIInChI1.03InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChIKeyInChI1.03WFKAJVHLWXSISD-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon