(S)-(+)-CBPG   Click here for help

GtoPdb Ligand ID: 3421

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 3
Topological polar surface area 100.62
Molecular weight 185.07
XLogP -3.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(C12CC(C1)(C2)C(=O)O)N
Isomeric SMILES OC(=O)[C@H](C12CC(C1)(C2)C(=O)O)N
InChI InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)/t4-,7?,8?/m1/s1
InChI Key KNSHLWJBSDBBRH-XOJFDHPMSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(S)-amino(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL43412
GtoPdb PubChem SID 178100427
PubChem CID 5311040
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