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

Structure

InChI Key HEQCDGCRHOZAOV-UHFFFAOYSA-N
Smiles CNC(O)C(O)CO
InChI
InChI=1S/C4H11NO3/c1-5-4(8)3(7)2-6/h3-8H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11N1O3
Molecular Weight 121.07
AlogP -2.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 72.72
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 31671-74-6
NORMAN SUSDAT