N-(4-NITROPHENYL)-L-GLUTAMINE MONOHYDROCHLORIDE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 7FHH4FVM3N
EPA CompTox DTXSID7044714

Structure

InChI Key OJEVFSFTVARWQX-FVGYRXGTSA-N
Smiles Cl.O=C(Nc1ccc(cc1)[N+]([O-])=O)CC[C@H](N)C(O)=O
InChI
InChI=1/C11H13N3O5.ClH/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14ClN3O5
Molecular Weight 303.06
AlogP 1.15
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 135.56
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 67953-08-6
NORMAN SUSDAT
FDA SRS 7FHH4FVM3N
CONTENTS