Name: 3-(2-Bromo-2-methylpropionylamino)propionic acid methyl ester
SMILES:
COC(=O)CCNC(=O)C(C)(C)BrMolecular Processing
Molecular formula
C8H14BrNO3
Molecular weight
252.11
Exact mass
251.0157
XLogP
0.84
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
52.65
Supplementary Information
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