Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1BFR

Summary
Name:(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
Formula:C10 H18 N2 O3
Formal charge:0
Formula weight:214.262 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
OpenEye OEToolkits3.1.0.0(5~{S})-~{N},~{N}-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CN(C)C(=O)N1CCOCC21COCC2
InChIInChI1.06InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m0/s1
InChIKeyInChI1.06RZCFMNWZMOAPRJ-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)N1CCOC[C@@]12CCOC2
SMILESCACTVS3.385CN(C)C(=O)N1CCOC[C]12CCOC2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CN(C)C(=O)N1CCOC[C@@]12CCOC2
SMILESOpenEye OEToolkits3.1.0.0CN(C)C(=O)N1CCOCC12CCOC2

248636

PDB entries from 2026-02-04

PDB statisticsPDBj update infoContact PDBjnumon