Name: 1-O,1-O-diethyl 2-O-methyl 1-(phenylmethoxycarbonylamino)ethane-1,1,2-tricarboxylate
SMILES:
CCOC(=O)C(CC(=O)OC)(C(=O)OCC)NC(=O)OCC1=CC=CC=C1Molecular Processing
Molecular formula
C18H23NO8
Molecular weight
381.38
Exact mass
381.1424
XLogP
1.34
TPSA
117.23
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
92.39
Supplementary Information
InChIKey: XKBNPUYSXUYTHM-UHFFFAOYSA-N
Synonyme
SCHEMBL560866XKBNPUYSXUYTHM-UHFFFAOYSA-Ndiethyl 2-benzyloxycarbonylamino-2-(methoxycarbonylmethyl)malonate
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