O=C(O)[C@@H]1CCCN1C(=O)CCc1ccccc1
Name: N-(3-phenylpropionyl)-L-proline
SMILES: O=C(O)[C@@H]1CCCN1C(=O)CCc1ccccc1

Molecular Processing

Molecular formula
C14H17NO3
Molecular weight
247.29
Exact mass
247.1208
XLogP
1.69
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
67.13

Supplementary Information

Details werden geladen…

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