Molecule ID: 129320463

IUPAC Name: (E,2S)-2-azaniumyl-4-(2-azaniumyl-3-hydroxypropoxy)but-3-enoate

Description: The molecule is if you can find information about the stereoconfiguration of the second amino group, you are very welcome to add it.

SMILES: N[C@@H](/C=C/OCC([NH3+])CO)C(=O)O

SELFIES: [N][C@@H1][Branch1][O][/C][=C][/O][C][C][Branch1][C][NH3+1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H14N2O4/c8-5(3-10)4-13-2-1-6(9)7(11)12/h1-2,5-6,10H,3-4,8-9H2,(H,11,12)/p+1/b2-1+/t5?,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: -3.8