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

OWA

Summary
Name:methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate
Formula:C8 H13 N O3
Formal charge:0
Formula weight:171.194 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate
OpenEye OEToolkits2.0.7methyl 2-[(3~{R})-1-methyl-5-oxidanylidene-pyrrolidin-3-yl]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(N(C)CC(CC(OC)=O)C1)=O
InChIInChI1.03InChI=1S/C8H13NO3/c1-9-5-6(3-7(9)10)4-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyInChI1.03CYBLSPQZUAXOJS-ZCFIWIBFSA-N
SMILES_CANONICALCACTVS3.385COC(=O)C[C@@H]1CN(C)C(=O)C1
SMILESCACTVS3.385COC(=O)C[CH]1CN(C)C(=O)C1
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1C[C@H](CC1=O)CC(=O)OC
SMILESOpenEye OEToolkits2.0.7CN1CC(CC1=O)CC(=O)OC

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon