Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key YSMODUONRAFBET-WHFBIAKZSA-N
Smiles NC[C@@H](O)CC[C@H](N)C(=O)O
InChI
InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2O3
Molecular Weight 162.1
AlogP -1.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 109.57
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1190-94-9
NORMAN SUSDAT