(S)-3-amino-2-methylpropanoate   

GtoPdb Ligand ID: 6610

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 67.77
Molecular weight 103.06
XLogP -0.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-]C(=O)C(C[NH3+])C
Isomeric SMILES [O-]C(=O)[C@H](C[NH3+])C
InChI InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key QCHPKSFMDHPSNR-VKHMYHEASA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-3-azaniumyl-2-methylpropanoate
Database Links
ChEBI CHEBI:58655
GtoPdb PubChem SID 178103223
PubChem CID 6971062
RCSB PDB Ligand 62H
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