2-AMINO-3-PHOSPHONOPROPIONIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0H89G8110O
EPA CompTox DTXSID40863590

Structure

InChI Key LBTABPSJONFLPO-UHFFFAOYSA-N
Smiles NC(C[P](O)(O)=O)C(O)=O
InChI
InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8N1O5P1
Molecular Weight 169.01
AlogP -1.42
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 120.85
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5652-28-8
NORMAN SUSDAT
FDA SRS 0H89G8110O
CONTENTS