1-L-ALANYL-D-PROLINE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1B9JC6P4Q5
EPA CompTox DTXSID20209452

Structure

InChI Key WPWUFUBLGADILS-NTSWFWBYSA-N
Smiles C[C@H](N)C(=O)N1CCC[C@@H]1C(=O)O
InChI
InChI=1/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14N2O3
Molecular Weight 186.1
AlogP -0.59
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 83.63
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 60643-20-1
NORMAN SUSDAT
FDA SRS 1B9JC6P4Q5
CONTENTS