Molecule ID: 69522

IUPAC Name: 2-aminooctanoic acid

Description: The molecule is an alpha-amino fatty acid that is caprylic acid which is substituted at position 2 by an amino group. It has a role as a human metabolite. It is a conjugate base of a 1-carboxyheptan-1-aminium. It is a conjugate acid of a 2-aminooctanoate. It is a tautomer of a 2-aminooctanoic acid zwitterion.

SMILES: CCCCCCC(N)C(=O)O

SELFIES: [C][C][C][C][C][C][C][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -0.5