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Ureidopropionic acid

CAT: 0931-T4919-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T4919-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
462-88-4
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9985
Bioactivity
Ureidopropionic acid (3-Ureidopropionic acid) is an intermediate in uracil metabolism, produced from dihydrouracil by the enzyme dihydropyrimidase and further decomposed to beta-alanine by beta-ureidopropionase. It is a urea derivative of beta-alanine. High levels of Ureidopropionic acid are found in individuals with beta-ureidopropionase (UP) deficiency. Enzyme deficiencies in pyrimidine metabolism are associated with severe toxicity to the antineoplastic agent 5-fluorouracil.
Smiles
NC(=O)NCCC(O)=O
Molecular Formula
C4H8N2O3
Molecular Weight
132.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-carbamoyl-beta-alanine

N-carbamoyl-beta-alanine is a beta-alanine derivative that is propionic acid bearing a ureido group at position 3. It has a role as a metabolite and a mouse metabolite. It is functionally related to a propionic acid. It is a conjugate acid of a N-carbamoyl-beta-alaninate.

CAS Number462-88-4
PubChem CID111
IUPAC Name3-(carbamoylamino)propanoic acid
Molecular FormulaC4H8N2O3
Molecular Weight132.12
XLogP-1.5
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity123
SMILES
C(CNC(=O)N)C(=O)O
InChI
InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
InChIKey
JSJWCHRYRHKBBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-carbamoyl-beta-alanine
CAS: 462-88-4
CID: 111
Formula: C4H8N2O3
MW: 132.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.12
XLogP3-1.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass132.05349212
Monoisotopic Mass132.05349212
Topological Polar Surface Area92.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity123
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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S6143-5mgUreidopropionic acid
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