SMILES:
CC(=O)NC(CC(C)C)C(=O)OMolecular Processing
Molecular formula
C8H15NO3
Molecular weight
173.21
Exact mass
173.1052
XLogP
0.62
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
44.7
Supplementary Information
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