(S)-2-AMINO-4-METHOXY-4-OXOBUTANOIC ACID HYDROCHLORIDE

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

Structure

InChI Key QRBMPUYOGOCYDJ-DFWYDOINSA-N
Smiles Cl.COC(=O)C[C@H](N)C(=O)O
InChI
InChI=1S/C5H9NO4.ClH/c1-10-4(7)2-3(6)5(8)9;/h3H,2,6H2,1H3,(H,8,9);1H/t3-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10ClNO4
Molecular Weight 183.03
AlogP -0.62
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.62
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 16856-13-6
NORMAN SUSDAT
PubChem 12832742
ChemSpider 9162149.0
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