threo-3-methylglutamate   

GtoPdb Ligand ID: 4573

Synonyms: (±)-threo-3-methylglutamic acid
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 100.62
Molecular weight 161.07
XLogP -3.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CC(C(C(=O)O)N)C
Isomeric SMILES OC(=O)CC(C(C(=O)O)N)C
InChI InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)
InChI Key FHJNAFIJPFGZRI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-amino-3-methylpentanedioic acid
Synonyms
(±)-threo-3-methylglutamic acid
Database Links
CAS Registry No. 2445-97-8 (source: Scifinder)
GtoPdb PubChem SID 178101294
PubChem CID 237657
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