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Propionylglycine

CAT: 0804-HY-W587803-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W587803-01Size:100 mg
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Description
Propionylglycine is a peptide[1].
CAS Number
21709-90-0
UNSPSC
12352209
Hazard Statement
H302, H312, H332
Target
Others
Type
Peptides
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/propionylglycine.html
Purity
98.0
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C(O)CNC(CC)=O
Molecular Formula
C5H9NO3
Molecular Weight
131.13
Precautions
H302, H312, H332
References & Citations
[1]Thompson, et al. Increased urinary metabolite excretion during fasting in disorders of propionate metabolism. Pediatric Research (1990), 27 (4), 413-16.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Peptides
Clinical Information
No Development Reported

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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