Marvin  04210816082D          

 10  9  0  0  0  0            999 V2000
    1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1768    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  2  0  0  0  0
  1  2  1  0  0  0  0
 10  2  1  0  0  0  0
  3  8  2  0  0  0  0
  4  3  1  0  0  0  0
  2  5  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
M  END
> <ID>
CHEBI:1670

> <NAME>
3-ureidoisobutyric acid

> <DEFINITION>
A ureidocarboxylic acid that is 2-methylpropanoic acid substituted by a carbamoylamino group at position 3.

> <STAR>
3

> <SYNONYM>
beta-ureidoisobutyric acid; beta-UBA; 3-Ureidoisobutyrate; 3-((aminocarbonyl)amino)-2-methylpropanoic acid

> <IUPAC_NAME>
3-carbamoylamino-2-methylpropanoic acid

> <FORMULA>
C5H10N2O3

> <MASS>
146.14458

> <MONOISOTOPIC_MASS>
146.06914

> <CHARGE>
0

> <SMILES>
CC(CNC(N)=O)C(O)=O

> <INCHI>
InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)

> <INCHIKEY>
PHENTZNALBMCQD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2905-86-4

> <REAXYS_REGISTRY_NUMBER>
1768736

> <CHEMIDPLUS>
2905-86-4

> <KEGG_COMPOUND_ACCESSION>
C05100

> <METACYC_ACCESSION>
3-UREIDO-ISOBUTYRATE

> <PUBMED_CITATION>
11675655

$$$$