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

RUJ

Summary
Name:3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE
Formula:C7 H17 N2 O2
Formal charge:1
Formula weight:161.222 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(2-carboxyethyl)-1,1,1,2-tetramethylhydrazinium
OpenEye OEToolkits1.9.2[3-hydroxy-3-oxopropyl(methyl)amino]-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCN([N+](C)(C)C)C
InChIInChI1.03InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3/p+1
InChIKeyInChI1.03NXHYIEABELXCMM-UHFFFAOYSA-O
SMILES_CANONICALCACTVS3.385CN(CCC(O)=O)[N+](C)(C)C
SMILESCACTVS3.385CN(CCC(O)=O)[N+](C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.9.2CN(CCC(=O)O)[N+](C)(C)C
SMILESOpenEye OEToolkits1.9.2CN(CCC(=O)O)[N+](C)(C)C

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon