trans-3-ACPBPA   

GtoPdb Ligand ID: 4099

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 73.13
Molecular weight 205.12
XLogP 0.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCCP(=O)(C1CCC(C1)N)O
Isomeric SMILES CCCCP(=O)([C@@H]1CC[C@H](C1)N)O
InChI InChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9-/m1/s1
InChI Key UQGQAMARAMOEID-RKDXNWHRSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[(1R,3R)-3-aminocyclopentyl](butyl)phosphinic acid
Database Links
GtoPdb PubChem SID 178100922
PubChem CID 11629817
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