5-{[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]amino}-2-hydroxybenzoic acid
Basic information
- CAS
4116-41-0- Standard SMILES
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(O)c(C(=O)O)c1- InChIKey
XDFSXRRXDXLSBM-UHFFFAOYSA-N- Molecular formula
- C13H11N3O6
- Average molar mass
- 305.24 g/mol
- Monoisotopic mass
- 305.06478508
Names & identifiers
- Preferred name
- 5-{[(2,4-Dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]amino}-2-hydroxybenzoic acid
- IUPAC
- 5-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybenzoic acid
Names & synonyms
4116-41-05-{[(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetyl]amino}-2-hydroxybenzoic acidNSC91789Benzoicacid, 5-[[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)acetyl]amino]-2-hydroxy-SCHEMBL19370613DTXSID80293731NSC-91789NSC161094NSC-161094DS-0104835-[2-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido]-2-hydroxybenzoic acid
Database identifiers
- CAS
4116-41-0- PubChem CID
- 260484
- DTXSID
DTXSID80293731
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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