(1S,3R)-ACPD   Click here for help

GtoPdb Ligand ID: 1365

Synonyms: (1S,3R)-1-ACPD | (1S,3S)-ACPD | 1S,3R-ACPD | trans-ACPD
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 100.62
Molecular weight 173.07
XLogP -3.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1CCC(C1)(N)C(=O)O
Isomeric SMILES OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O
InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
InChI Key YFYNOWXBIBKGHB-FBCQKBJTSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid
Synonyms Click here for help
(1S,3R)-1-ACPD | (1S,3S)-ACPD | 1S,3R-ACPD | trans-ACPD
Database Links Click here for help
BindingDB Ligand 50034502
ChEMBL Ligand CHEMBL34453
GtoPdb PubChem SID 135649666
PubChem CID 104766
RCSB PDB Ligand C5B
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Search UniChem for chemical match using the InChIKey YFYNOWXBIBKGHB-FBCQKBJTSA-N
Search UniChem for chemicals with the same backbone YFYNOWXBIBKGHB

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Tocris
(1S,3R)-ACPD
Cat. No. 0284