4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid
4-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-4-oxobutanoic acid
Also Known As: F0856-0054|4-((1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid|4-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-4-oxobutanoic acid|SR-01000009606-1|3-{[1,3-DIHYDROXY-1-(4-NITROPHENYL)PROPAN-2-YL]CARBAMOYL}PROPANOIC ACID|3-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl]propanoic Acid|4-{[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-4-oxobutanoic acid|3-[N-2-hydroxy-1-(hydroxymethyl)-2-(p-nitrophenyl)ethylcarbamoyl]propionic acid
| Molecular Formula | C13H16N2O7 |
|---|---|
| Molecular Weight | 312.09576 g/mol |
| LogP | -0.0299 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 312.09576 |
| Monoisotopic Mass | 312.09576 |
| Heavy Atoms | 22 |
| Complexity | 543.8245 |
Chemical Identifiers
| CAS Number | 96053-93-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(CO)NC(=O)CCC(=O)O)O)[N+](=O)[O-] |
Product Overview
4-((1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl)amino)-4-oxobutanoic acid (CAS 96053-93-9), with molecular formula C13H16N2O7 and molecular weight 312.09576 g/mol. IUPAC: 4-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-4-oxobutanoic acid.