Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3HQ6U6424Q
EPA CompTox DTXSID4074986

Structure

InChI Key KDXKERNSBIXSRK-RXMQYKEDSA-N
Smiles NCCCC[C@@H](N)C(=O)O
InChI
InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2O2
Molecular Weight 146.11
AlogP -0.47
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 89.34
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 923-27-3
NORMAN SUSDAT
FDA SRS 3HQ6U6424Q