d-AP5   Click here for help

GtoPdb Ligand ID: 4168

Synonyms: D-aminophosphonovaleric acid | D-AP-5
Compound class: Synthetic organic
Comment: The D-confirmation of AP5 is the more active isomer. This compoundis represented by ChEMBL without the charge (see link above).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 133.49
Molecular weight 196.04
XLogP -4.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(CCCP(=O)(O)[O-])N
Isomeric SMILES OC(=O)[C@@H](CCCP(=O)(O)[O-])N
InChI InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/p-1/t4-/m1/s1
InChI Key VOROEQBFPPIACJ-SCSAIBSYSA-M
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4R)-4-amino-4-carboxybutyl]-hydroxyphosphinate
Synonyms Click here for help
D-aminophosphonovaleric acid | D-AP-5
Database Links Click here for help
CAS Registry No. 79055-68-8 (source: Scifinder)
ChEMBL Ligand CHEMBL84612
GtoPdb PubChem SID 178100988
PubChem CID 24794417
Search Google for chemical match using the InChIKey VOROEQBFPPIACJ-SCSAIBSYSA-M
Search Google for chemicals with the same backbone VOROEQBFPPIACJ
Search UniChem for chemical match using the InChIKey VOROEQBFPPIACJ-SCSAIBSYSA-M
Search UniChem for chemicals with the same backbone VOROEQBFPPIACJ
Wikipedia AP5