L-valinol   Click here for help

GtoPdb Ligand ID: 4750

PDB Ligand
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 46.25
Molecular weight 103.1
XLogP -0.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(C(C)C)N
Isomeric SMILES OC[C@H](C(C)C)N
InChI InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
InChI Key NWYYWIJOWOLJNR-RXMQYKEDSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-3-methylbutan-1-ol
Database Links Click here for help
GtoPdb PubChem SID 178101460
PubChem CID 640993
RCSB PDB Ligand VOL
Search Google for chemical match using the InChIKey NWYYWIJOWOLJNR-RXMQYKEDSA-N
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UniChem Compound Search for chemical match using the InChIKey NWYYWIJOWOLJNR-RXMQYKEDSA-N
UniChem Connectivity Search for chemical match using the InChIKey NWYYWIJOWOLJNR-RXMQYKEDSA-N