Molecule ID: 45039541

IUPAC Name: (2S)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid

Description: The molecule is a diastereoisomeric mixture of (2S,4R)- and (2S,4S)- hypoglycin A, found in the edible part of the fruit of the Ackee, Blighia sapida (where the 2S,4R diastereoisomer is more dominant (17% d.e.) than its 2S,4S counterpart) as well as in the sycamore maple tree (Acer pseudoplatanus). It has a role as a phytotoxin. It contains a (2S,4S)-hypoglycin A and a (2S,4R)-hypoglycin A.

SMILES: C=C1CC1C[C@H](N)C(=O)O

SELFIES: [C][=C][C][C][Ring1][Ring1][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O]

InChI: InChI=1S/C7H11NO2/c1-4-2-5(4)3-6(8)7(9)10/h5-6H,1-3,8H2,(H,9,10)/t5?,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: -2.5