Home Other Building Blocks 3-(5-carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid

3-(5-carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid

CAS No.:
2044713-63-3
Catalog Number:
AG01BV0R
Molecular Formula:
C8H9N3O5
Molecular Weight:
227.1742
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Product Description
Catalog Number:
AG01BV0R
Chemical Name:
3-(5-carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid
CAS Number:
2044713-63-3
Molecular Formula:
C8H9N3O5
Molecular Weight:
227.1742
MDL Number:
MFCD30476210
IUPAC Name:
3-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)propanoic acid
InChI:
InChI=1S/C8H9N3O5/c9-6(14)4-3-11(2-1-5(12)13)8(16)10-7(4)15/h3H,1-2H2,(H2,9,14)(H,12,13)(H,10,15,16)
InChI Key:
OAXBOGYHWRIZEN-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1cc(C(=O)N)c(=O)[nH]c1=O
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.054g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
227.176g/mol
Monoisotopic Mass:
227.054g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Properties