Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P2MJ2LM6U5
EPA CompTox DTXSID1071034

Structure

InChI Key ISYSXHXTFFZRKN-UHFFFAOYSA-N
Smiles OCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C10H21NO4/c12-7-3-1-2-4-10(15)11(5-8-13)6-9-14/h12-14H,1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N1O4
Molecular Weight 219.15
AlogP -0.65
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 81.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 68052-21-1
NORMAN SUSDAT
FDA SRS P2MJ2LM6U5
PubChem 106477
ChemSpider 95862.0