BCH   Click here for help

GtoPdb Ligand ID: 4700

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 63.32
Molecular weight 155.09
XLogP -1.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C1(N)CC2CC1CC2
Isomeric SMILES OC(=O)C1(N)CC2CC1CC2
InChI InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)
InChI Key MPUVBVXDFRDIPT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
Database Links Click here for help
CAS Registry No. 20448-79-7
ChEMBL Ligand CHEMBL2074957
GtoPdb PubChem SID 178101412
PubChem CID 115288
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UniChem Connectivity Search for chemical match using the InChIKey MPUVBVXDFRDIPT-UHFFFAOYSA-N

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Tocris
BCH
Cat. No. 5027