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

52F

Summary
Name:3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
Formula:C11 H10 N2 O3
Formal charge:0
Formula weight:218.209 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid
OpenEye OEToolkits1.9.23-(3-oxidanylidene-4H-quinoxalin-2-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2ccc1NC(=O)C(CCC(O)=O)=Nc1c2
InChIInChI1.03InChI=1S/C11H10N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-4H,5-6H2,(H,13,16)(H,14,15)
InChIKeyInChI1.03HROJWOXFEZYMGL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)CCC1=Nc2ccccc2NC1=O
SMILESCACTVS3.385OC(=O)CCC1=Nc2ccccc2NC1=O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon