Name: 2-(3-Phenyl-propionylamino)-succinic acid 4-methyl ester
SMILES:
COC(=O)CC(NC(=O)CCc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C14H17NO5
Molecular weight
279.29
Exact mass
279.1107
XLogP
0.75
TPSA
92.7
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
70.96
Supplementary Information
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