4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid
4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzoic acid
Also Known As: NCIOpen2_009959|4-{[5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)pentanoyl]amino}-2-hydroxybenzoic acid|4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid|4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzoic acid|4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzo|4-(5-(2,4-dihydropyrimidin-1(2H)- yl)-pentanamido)-2-hydroxybenzoic acid|4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxy-benzoic acid|4-[5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido]-2-hydroxybenzoic acid
| Molecular Formula | C16H17N3O6 |
|---|---|
| Molecular Weight | 347.11172 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.11172 |
| Monoisotopic Mass | 347.11172 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 4113-89-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)CCCCN2C=CC(=O)NC2=O)O)C(=O)O |
| InChIKey | UBPCITVTCFUKDY-UHFFFAOYSA-N |
Product Overview
4-(5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanamido)-2-hydroxybenzoic acid (CAS 4113-89-7), with molecular formula C16H17N3O6 and molecular weight 347.11172 g/mol. IUPAC: 4-[5-(2,4-dioxopyrimidin-1-yl)pentanoylamino]-2-hydroxybenzoic acid.