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-
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
1-aminocyclopentane-1,3,4-tricarboxylic acid
Database Links Click here for help
Specialist databases
GPCRdb Ligand ACPT-I
Other databases
BindingDB Ligand 50060135
CAS Registry No. 194918-76-8 (source: Scifinder)
ChEMBL Ligand CHEMBL285043
GtoPdb PubChem SID 135649891
PubChem CID 6604820
Search Google for chemical match using the InChIKey FERIKTBTNCSGJS-KIGHRTHISA-N
Search Google for chemicals with the same backbone FERIKTBTNCSGJS
UniChem Compound Search for chemical match using the InChIKey FERIKTBTNCSGJS-KIGHRTHISA-N
UniChem Connectivity Search for chemical match using the InChIKey FERIKTBTNCSGJS-KIGHRTHISA-N

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ACPT-II (links to external site)
Cat. No. 1112