Molecule ID: 139036266

IUPAC Name: (2S,3R)-2-azaniumyl-3-hydroxypent-4-ynoate

Description: The molecule is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of L-beta-ethynylserine. The major species at pH 7.3. It has a role as an antibacterial agent and an antimetabolite. It is a tautomer of a L-beta-ethynylserine.

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

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

InChI: InChI=1S/C5H7NO3/c1-2-3(7)4(6)5(8)9/h1,3-4,7H,6H2,(H,8,9)/t3-,4+/m1/s1

Molecular Properties:
- Polar Surface Area: 88.0 Ų
- LogP: -3.3