Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate
4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobutanoic acid
Also Known As: Oprea1_639310|KS-000029EE|4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobutanoic acid|DIMETHYL-5-((2-CARBOXYETHYL)CARBONYLAMINO)-ISOPHTHALATE|MS-8072|3-{[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}propanoic acid|AK-968/12385328|SR-01000257960-1|4-((3,5-Bis(methoxycarbonyl)phenyl)amino)-4-oxobutanoic acid|4-[3,5-bis(methoxycarbonyl)anilino]-4-oxo-butanoic acid|3-{N-[3,5-bis(methoxycarbonyl)phenyl]carbamoyl}propanoic acid|4-{[3,5-bis(methoxycarbonyl)phenyl]amino}-4-oxobutanoic acid
| Molecular Formula | C14H15NO7 |
|---|---|
| Molecular Weight | 309.08484 g/mol |
| LogP | 1.0631 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.08484 |
| Monoisotopic Mass | 309.08484 |
| Heavy Atoms | 22 |
| Complexity | 574.959 |
Chemical Identifiers
| CAS Number | 540791-94-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CCC(=O)O)C(=O)OC |
Product Overview
Dimethyl-5-((2-carboxyethyl)carbonylamino)-isophthalate (CAS 540791-94-4), with molecular formula C14H15NO7 and molecular weight 309.08484 g/mol. IUPAC: 4-[3,5-bis(methoxycarbonyl)anilino]-4-oxobutanoic acid.