ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL11488
CHEMBL11488
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H10N2O2

Additional synonyms for CHEMBL11488 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC[C@H](N)C(=O)O
Standard InChI InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/ ...
Download InChI
Standard InChI Key UJVHVMNGOZXSOZ-VKHMYHEASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL11488

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
118.1 118.0742 -3.91 3 75.35 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.88 10.51 -.1 -2.63 0 8 0.35

Structural Alerts

There are 1 structural alerts for CHEMBL11488. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UJVHVMNGOZXSOZ-VKHMYHEASA-N
Wikipedia Beta-Methylamino-L-alanine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL11488



ACToR 15920-93-1
ChEBI 73169
eMolecules 31589066
EPA CompTox Dashboard DTXSID60166611
FDA SRS 108SA6URTV
IBM Patent System A2E9C0487E1B430BB0B1AB5DF71AEB11
KEGG Ligand C08291
Metabolights MTBLC73169
Nikkaji J82.463A
PubChem 105089 126961151
PubChem: Thomson Pharma 16703254
SureChEMBL SCHEMBL43839
ZINC ZINC000095483601

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UJVHVMNGOZXSOZ-VKHMYHEASA-N spacer
spacer