OCTANOIC ACID, 2-AMINO-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P3W4D5DQU7
EPA CompTox DTXSID50862352

Structure

InChI Key AKVBCGQVQXPRLD-UHFFFAOYSA-N
Smiles CCCCCCC(C(=O)O)N
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17N1O2
Molecular Weight 159.13
AlogP 1.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 63.32
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 644-90-6
NORMAN SUSDAT
FDA SRS P3W4D5DQU7
ChemSpider 362214.0
CONTENTS