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Tiopronin Impurity C

CAT: 1299-RM-T151603-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T151603-01Size:10 mg
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CAS Number
21709-90-0
Synonyms
2-propionamidoacetic acid
Molecular Formula
C5H9NO3
Molecular Weight
131.13
Target Alternative Name
Tiopronin
Product Name Synonym
2-propionamidoacetic acid

Chemical Information

Propionylglycine

Propionylglycine is a N-acylglycine obtained by formal condensation of the carboxy group of propionic acid with the amino group of glycine. It has a role as a human urinary metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a propionylglycinate.

CAS Number21709-90-0
PubChem CID98681
IUPAC Name2-(propanoylamino)acetic acid
Molecular FormulaC5H9NO3
Molecular Weight131.13
XLogP0.7
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity121
SMILES
CCC(=O)NCC(=O)O
InChI
InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKey
WOMAZEJKVZLLFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propionylglycine
CAS: 21709-90-0
CID: 98681
Formula: C5H9NO3
MW: 131.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.13
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass131.058243149
Monoisotopic Mass131.058243149
Topological Polar Surface Area66.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity121
Isotope Atom Count0
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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