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3,3'-Azanediyldipropionic acid-d8

CAT: 0804-HY-W091636SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W091636SSize:1 mg
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Description
3,3'-Azanediyldipropionic acid-d8 is the deuterium labeled 3,3'-Azanediyldipropionic acid[1].
CAS Number
1219803-81-2
Product Name Alternative
3,3'-Iminodipropionic acid-d8
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
OC(C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])C(O)=O)=O
Molecular Formula
C6H3D8NO4
Molecular Weight
169.21
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

beta-Iminodi(propionic-2,2,3,3-d4 acid)
CAS Number1219803-81-2
PubChem CID131869362
IUPAC Name3-[(2-carboxy-1,1,2,2-tetradeuterioethyl)amino]-2,2,3,3-tetradeuteriopropanoic acid
Molecular FormulaC6H11NO4
Molecular Weight169.20
XLogP-3.5
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity130
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])NC([2H])([2H])C([2H])([2H])C(=O)O
InChI
InChI=1S/C6H11NO4/c8-5(9)1-3-7-4-2-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)/i1D2,2D2,3D2,4D2
InChIKey
TXPKUUXHNFRBPS-SVYQBANQSA-N
Chemical Structure
2D Structure
2D structure of beta-Iminodi(propionic-2,2,3,3-d4 acid)
CAS: 1219803-81-2
CID: 131869362
Formula: C6H11NO4
MW: 169.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.20
XLogP3-3.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass169.11902180
Monoisotopic Mass169.11902180
Topological Polar Surface Area86.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity130
Isotope Atom Count8
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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