ACPT-I   Click here for help

GtoPdb Ligand ID: 1408

Synonyms: 1-aminocyclopentane-1,3,4-tricarboxylic acid
Compound class: Synthetic organic
Comment: There is no exact chiral match to this compound in PubChem. Alternative representations include CID 6604820 and CID 4302961.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 137.92
Molecular weight 217.06
XLogP -4.23
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C1CC(CC1C(=O)O)(N)C(=O)O
Isomeric SMILES OC(=O)[C@@H]1C[C@](C[C@@H]1C(=O)O)(N)C(=O)O
InChI InChI=1S/C8H11NO6/c9-8(7(14)15)1-3(5(10)11)4(2-8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4+,8-
1. Acher FC, Tellier FJ, Azerad R, Brabet IN, Fagni L, Pin JP. (1997)
Synthesis and pharmacological characterization of aminocyclopentanetricarboxylic acids: new tools to discriminate between metabotropic glutamate receptor subtypes.
J Med Chem, 40 (19): 3119-29. [PMID:9301676]
2. De Colle C, Bessis AS, Bockaert J, Acher F, Pin JP. (2000)
Pharmacological characterization of the rat metabotropic glutamate receptor type 8a revealed strong similarities and slight differences with the type 4a receptor.
Eur J Pharmacol, 394 (1): 17-26. [PMID:10771029]