2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid
PubChem CID: 4479246
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| Compound Synonyms | (S)-Isowillardiine, 2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid, SCHEMBL5282402, CHEBI:168734 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Description | From seeds of Pisum sativum (peas). (S)-Isowillardiine is found in pulses and common pea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | -4.4 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C7H9N3O4 |
| Inchi Key | AZSWUZQIIMMKOZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | beta-(2,4-Dihydroxypyrimidin-3-yl)alanine, Isowillardiine, 2-Amino-3-(2-hydroxy-6-oxo-1,6-dihydropyrimidin-1-yl)propanoate |
| Compound Name | 2-amino-3-(2,4-dioxo-1H-pyrimidin-3-yl)propanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 199.059 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 199.059 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 199.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13) |
| Smiles | C1=CNC(=O)N(C1=O)CC(C(=O)O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids |
- 1. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all