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

Structure

InChI Key UKESBLFBQANJHH-QMMMGPOBSA-N
Smiles O=C([C@@H]1CCCO1)N2CC[NH2+]CC2
InChI
InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2/t8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N2O2
Molecular Weight 184.12
AlogP -0.4
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 41.57
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 63074-07-7
NORMAN SUSDAT