TERT-BUTYL 3-PHENYL-L-ALANINATE HYDROCHLORIDE

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

Structure

InChI Key FDMCEXDXULPJPG-MERQFXBCSA-N
Smiles Cl.O=C(OC(C)(C)C)C(N)CC=1C=CC=CC1
InChI
InChI=1/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19NO2
Molecular Weight 257.12
AlogP 2.32
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 15100-75-1
NORMAN SUSDAT
PubChem 262751
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