2(S)-amino-6-boronohexanoic acid   Click here for help

GtoPdb Ligand ID: 5107

Abbreviated name: ABH
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 4
Rotatable bonds 6
Topological polar surface area 103.78
Molecular weight 175.1
XLogP -2.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OB(CCCCC(C(=O)O)N)O
Isomeric SMILES OB(CCCC[C@@H](C(=O)O)N)O
InChI InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1
InChI Key HFKKMXCOJQIYAH-YFKPBYRVSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-6-(dihydroxyboranyl)hexanoic acid
Database Links Click here for help
CAS Registry No. 222638-65-5
ChEBI CHEBI:40520
ChEMBL Ligand CHEMBL1812661
GtoPdb PubChem SID 178101800
PubChem CID 9793992
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