(±)-3-AMINOPROPANE-1,1,3-TRICARBOXYLIC ACID

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

Structure

InChI Key UHBYWPGGCSDKFX-UHFFFAOYSA-N
Smiles O=C(O)C(N)CC(C(=O)O)C(=O)O
InChI
InChI=1/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H9NO6
Molecular Weight 191.04
AlogP -1.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 137.92
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 56271-99-9
NORMAN SUSDAT
CONTENTS