(±)-N-[N-(2-BROMO-1-OXOPROPYL)GLYCYL]-GLYCINE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key XDBDRCFCQAKVQM-UHFFFAOYSA-N
Smiles CC(Br)C(=O)NCC(=O)NCC(O)=O
InChI
InChI=1S/C7H11BrN2O4/c1-4(8)7(14)10-2-5(11)9-3-6(12)13/h4H,2-3H2,1H3,(H,9,11)(H,10,14)(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11Br1N2O4
Molecular Weight 265.99
AlogP 0.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 102.48
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 60662-64-8
NORMAN SUSDAT
CONTENTS