N-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]aspartic acid
Chemical Structure Depiction of
N-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]aspartic acid
N-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]aspartic acid
Compound characteristics
Compound ID: | 4286-0169 |
Compound Name: | N-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]aspartic acid |
Molecular Weight: | 283.28 |
Molecular Formula: | C13 H17 N O6 |
Smiles: | CC1(C)CC(C(=CNC(CC(O)=O)C(O)=O)C(C1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | -1.308 |
logD: | -4.5107 |
logSw: | -0.5442 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 96.272 |
InChI Key: | VSKAAGHROGMFPF-QMMMGPOBSA-N |