6-aminocaproic acid   

GtoPdb Ligand ID: 6574

Synonyms: ε-aminocaproic acid | Amicar® | EACA
6-aminocaproic acid is an approved drug (FDA (1964))
Compound class: Synthetic organic
Comment: Aminocaproic acid is a derivative of lysine.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 63.32
Molecular weight 131.09
XLogP 0.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCCCCCC(=O)O
Isomeric SMILES NCCCCCC(=O)O
InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChI Key SLXKOJJOQWFEFD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1964))
IUPAC Name
6-aminohexanoic acid
International Nonproprietary Names
INN number INN
1189 aminocaproic acid
Synonyms
ε-aminocaproic acid | Amicar® | EACA
Database Links
CAS Registry No. 60-32-2 (source: PubChem)
ChEBI CHEBI:16586
ChEMBL Ligand CHEMBL1046
DrugBank Ligand DB00513
DrugCentral Ligand 163
GtoPdb PubChem SID 178103188
PubChem CID 564
RCSB PDB Ligand ACA
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Search PubMed clinical trials aminocaproic acid
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Search UniChem for chemical match using the InChIKey SLXKOJJOQWFEFD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SLXKOJJOQWFEFD
SynPHARM 78429 (in complex with plasminogen)
Wikipedia Aminocaproic_acid