5-Bromowillardiine
(2S)-2-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acid
Also Known As: 5-Bromowillardiine|BROMO-WILLARDIINE|1mqh|1mxu|5-Bromo-S-willardiine|1my3|3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-l-alanine|2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID|(2S)-2-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acid|(2S)-2-AMINO-3-(5-BROMO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)PROPANOIC ACID|1(2H)-Pyrimidinepropanoicacid, a-amino-5-bromo-3,4-dihydro-2,4-dioxo-,(aS)-|BWD|(2S)-2-Amino-3-[(5-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidine)-1-yl]propanoic acid|(S)-2-Amino-3-(5-bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid|(S)-2-amino-3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid|(S)-3-[(1,2,3,4-Tetrahydro-2,4-dioxo-5-bromopyrimidin)-1-yl]-2-aminopropanoic acid|1(2H)-Pyrimidinepropanoic acid, alpha-amino-5-bromo-3,4-dihydro-2,4-dioxo-, (S)-|1(2H)-PYRIMIDINEPROPANOIC ACID, .ALPHA.-AMINO-5-BROMO-3,4-DIHYDRO-2,4-DIOXO-, (.ALPHA.S)-
| Molecular Formula | C7H8BrN3O4 |
|---|---|
| Molecular Weight | 276.96982 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.96982 |
| Monoisotopic Mass | 276.96982 |
| Heavy Atoms | 15 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 2270-41-9 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br |
| InChIKey | AEKIJKSVXKWGRJ-BYPYZUCNSA-N |
Product Overview
5-Bromowillardiine (CAS 2270-41-9), with molecular formula C7H8BrN3O4 and molecular weight 276.96982 g/mol. IUPAC: (2S)-2-amino-3-(5-bromo-2,4-dioxopyrimidin-1-yl)propanoic acid.