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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL265325
CHEMBL265325
Compound Name 1-Aminocyclopropane carboxylic acid
ChEMBL Synonyms 1-Aminocyclopropanecarboxylic Acid | 1-Aminocyclopropane Carboxylic Acid | 1-Aminocyclopropanecarboxylic Acid Hydrochloride | 1-Amino-Cyclopropanecarboxylic 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

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 -3.09 1 63.31 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.48 5.23 5.24 5.23 0 7 0.37

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
ChEBI 18053 58360
DrugBank DB02085
eMolecules 476742
EPA CompTox Dashboard DTXSID9039577
FDA SRS 3K9EJ633GL
Human Metabolome Database HMDB36458
IBM Patent System 6D0F996780AE2177ECE2FBB90BC341D3
KEGG Ligand C01234
Mcule MCULE-8788149299
MolPort MolPort-001-756-808
Nikkaji J83.133F
PDBe 1AC
PubChem 535 6971063
PubChem: Thomson Pharma 15170459
SureChEMBL SCHEMBL61082
ZINC ZINC00895536

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