N-[4-(METHYLAMINO)-BENZOYL]-L-GLUTAMIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key UFBUCKLNZUNJHS-UHFFFAOYSA-N
Smiles CNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
InChI
InChI=1S/C13H16N2O5/c1-14-9-4-2-8(3-5-9)12(18)15-10(13(19)20)6-7-11(16)17/h2-5,10,14H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H16N2O5
Molecular Weight 280.11
AlogP 0.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 115.73
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 52980-68-4
NORMAN SUSDAT
CONTENTS