LXQ

?

Summary

Name:(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid
Formula:C7 H11 N O3
Formal charge:0
Molecular weight:157.167 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyInChI1.03FEQQMBBBBFVNMN-ZCFIWIBFSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CC[C@H](C1)C(O)=O
SMILESCACTVS3.385CC(=O)N1CC[CH](C1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CC[C@H](C1)C(=O)O
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCC(C1)C(=O)O
167518
PDB entries from 2020-08-12