Molecule ID: 440139

IUPAC Name: 6-acetamido-3-aminohexanoic acid

Description: The molecule is a member of the class of beta-amino acids that is the N(6)-acetyl derivative of 3,6-diaminohexanoic acid. It is a beta-amino acid and a member of acetamides. It derives from a hexanoic acid. It is a conjugate acid of a 6-acetamido-3-aminohexanoate. It is a tautomer of a 6-acetamido-3-aminohexanoic acid zwitterion.

SMILES: CC(O)=NCCCC(N)CC(=O)O

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

InChI: InChI=1S/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)

Molecular Properties:
- Polar Surface Area: 92.4 Ų
- LogP: -3.4