ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL265325
CHEMBL265325
Compound Name 1-Aminocyclopropane carboxylic acid
ChEMBL Synonyms 1-Aminocyclopropane Carboxylic Acid | 1-Aminocyclopropanecarboxylic Acid Hydrochloride | 1-Amino-Cyclopropanecarboxylic Acid | 1-Aminocyclopropanecarboxylic Acid
Max Phase 0
Trade Names
Molecular Formula C4H7NO2

Additional synonyms for CHEMBL265325 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1(CC1)C(=O)O
Standard InChI InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
Standard InChI Key PAJPWUMXBYXFCZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL265325

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
101.1 101.0477 -0.44 1 63.32 ACID


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
2.29 8.03 -1.04 -3.61 0 7 0.47

Structural Alerts

There are 1 structural alerts for CHEMBL265325. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PAJPWUMXBYXFCZ-UHFFFAOYSA-N
PubChem SID: 11110708 SID: 26749953 SID: 26756617 SID: 90340879
Wikipedia 1-Aminocyclopropane-1-carboxylic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL265325



ACToR 22059-21-8
Brenda 117243 6035 95600 1490 42894 139472 153366 136561 18812
ChEBI 18053 58360
ChemicalBook CB6401146
DrugBank DB02085
eMolecules 476742
EPA CompTox Dashboard DTXSID9039577
FDA SRS 3K9EJ633GL
Human Metabolome Database HMDB0036458
IBM Patent System 6D0F996780AE2177ECE2FBB90BC341D3
KEGG Ligand C01234
Mcule MCULE-8788149299
Metabolights MTBLC18053 MTBLC58360
MolPort MolPort-001-756-808
Nikkaji J83.133F
PDBe 1AC
PubChem 535 6971063
PubChem: Thomson Pharma 15170459
Rhea 58360
SureChEMBL SCHEMBL61082
ZINC ZINC000000895536

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