ORNITHINE PHENYLACETATE

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Synonyms
OP
Status
Molecule Category Salt-form
UNII 9D6YZ105SN
EPA CompTox DTXSID90241788

Structure

InChI Key LRSYFEZBIMVWRY-VWMHFEHESA-N
Smiles NCCC[C@H](N)C(=O)O.O=C(O)Cc1ccccc1
InChI
InChI=1S/C8H8O2.C5H12N2O2/c9-8(10)6-7-4-2-1-3-5-7;6-3-1-2-4(7)5(8)9/h1-5H,6H2,(H,9,10);4H,1-3,6-7H2,(H,8,9)/t;4-/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N2O4
Molecular Weight 268.31
AlogP -0.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 89.34
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 9.0

Cross References

Resources Reference
ChEMBL CHEMBL4297204
FDA SRS 9D6YZ105SN
SureChEMBL SCHEMBL1702338
CONTENTS