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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
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-
InChI Key FERIKTBTNCSGJS-KIGHRTHISA-N
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
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
Search UniChem for chemical match using the InChIKey FERIKTBTNCSGJS-KIGHRTHISA-N
Search UniChem for chemicals with the same backbone FERIKTBTNCSGJS

Product suppliers

View disclaimer

Tocris
ACPT-II
Cat. No. 1112