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Phenyl-ac-Gly-OH

CAT: 1410-M20043-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M20043-01Size:1 mL x 10 mM in DMSO
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Description
Phenylacetylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. The presence of phenylacetylglycine in urine has been confirmed for dogs rats and mice. However the presence of this compound in human urine is controversial. GC-MS studies have not found this compound while NMR studies claimed to have identified it.
CAS Number
500-98-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
193.2
Molecular Formula
C10H11NO3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Phenylacetylglycine

Phenylacetylglycine is a N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. It has a role as a mouse metabolite and a human metabolite. It is a N-acylglycine, a monocarboxylic acid and a monocarboxylic acid amide. It is a conjugate acid of a phenylacetylglycine(1-).

CAS Number500-98-1
PubChem CID68144
IUPAC Name2-[(2-phenylacetyl)amino]acetic acid
Molecular FormulaC10H11NO3
Molecular Weight193.20
XLogP0.7
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity209
SMILES
C1=CC=C(C=C1)CC(=O)NCC(=O)O
InChI
InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKey
UTYVDVLMYQPLQB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylacetylglycine
CAS: 500-98-1
CID: 68144
Formula: C10H11NO3
MW: 193.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.20
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass193.07389321
Monoisotopic Mass193.07389321
Topological Polar Surface Area66.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity209
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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