3-AMINO-4-ETHOXY-4-OXOBUTANOIC ACID(NON-PREFERRED NAME)

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Keyword(s): Indoor Environment Substances
Molecule Category Free-form
EPA CompTox DTXSID20298003

Structure

InChI Key WXFCDLWCQIARFW-UHFFFAOYSA-N
Smiles CCOC(=O)[C@@H](N)CC(O)=O
InChI
InChI=1S/C6H11NO4/c1-2-11-6(10)4(7)3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11N1O4
Molecular Weight 161.07
AlogP -0.65
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 89.62
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 21860-85-5
NORMAN SUSDAT
PubChem 274180
ChemSpider 241213.0
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