Name: (E)-4-(4-(2-((tert-butoxycarbonyl)amino)ethyl)piperazin-1-yl)but-2-enoic acid
SMILES:
CC(C)(C)OC(=O)NCCN1CCN(C/C=C/C(=O)O)CC1Molecular Processing
Molecular formula
C15H27N3O4
Molecular weight
313.4
Exact mass
313.2002
XLogP
0.77
TPSA
82.11
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.733
Molar refractivity
83.89
Supplementary Information
Details werden geladen…
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