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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL55612
CHEMBL55612
Compound Name NORVALINE
ChEMBL Synonyms 2-Amino-Pentanoic Acid | L-Norvaline
Max Phase 0
Trade Names
Molecular Formula C5H11NO2

Additional synonyms for CHEMBL55612 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@H](N)C(=O)O
Standard InChI InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t ...
Download InChI
Standard InChI Key SNDPXSYFESPGGJ-BYPYZUCNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL55612

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
117.2 117.079 0.2 3 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.54 9.91 .45 -2.06 0 8 0.55

Structural Alerts

There are 1 structural alerts for CHEMBL55612. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SNDPXSYFESPGGJ-BYPYZUCNSA-N
Wikipedia Norvaline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL55612



BindingDB 50357215
Brenda 18811 203574 172546 3654 691 102921 100783
ChEBI 58441 18314
ChemicalBook CB7377642
DrugBank DB04185
eMolecules 530041
FDA SRS A70UKS48FE
IBM Patent System CF4EE4FD7101C214BB4C912B49A97C62
KEGG Ligand C01826
LipidMaps LMFA01100041
Mcule MCULE-4690406880
Metabolights MTBLC58441 MTBLC18314
MolPort MolPort-001-792-387
Nikkaji J9.213D
PDBe NVA
PubChem 6950514 65098
PubChem: Thomson Pharma 15218853
Rhea 58441
SureChEMBL SCHEMBL38405
ZINC ZINC000000391821

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