Molecule ID: 5281166

IUPAC Name: 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

Description: The molecule is an oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. It has a role as a plant metabolite and a member of jasmonates. It is a conjugate acid of a jasmonate(1-). It is an enantiomer of a (+)-jasmonic acid.

SMILES: CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O

SELFIES: [C][C][/C][=C][\C][C@H1][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.6