Molecule ID: 441443

IUPAC Name: (2S)-2-amino-4-aminooxybutanoic acid

Description: The molecule is a non-proteinogenic L-alpha-amino acid that is L-homoserine in which the hydroxy group at position 4 is substituted by an aminooxy group. It has been isolated from legumes and plays an essential role in lugume chemical defense against insects. It has a role as a plant metabolite, an antineoplastic agent, an antimetabolite and a phytogenic insecticide. It derives from a L-homoserine. It is a tautomer of a L-canaline zwitterion.

SMILES: NOCC[C@H](N)C(=O)O

SELFIES: [N][O][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1

Molecular Properties:
- Polar Surface Area: 98.6 Ų
- LogP: -4.6