Nombre: (S)-3-(tert-butoxycarbonylamino)-2-(4-chlorophenyl)propanoic acid
SMILES:
CC(C)(C)OC(=O)NC[C@@H](C(=O)O)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C14H18ClNO4
Molecular weight
299.75
Exact mass
299.0924
XLogP
3.03
TPSA
75.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
76.07
Supplementary Information
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