Name: (S)-2-[(Azepane-1-carbonyl)-amino]-4-methyl-pentanoic acid
SMILES:
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)OMolecular Processing
Molecular formula
C13H24N2O3
Molecular weight
256.35
Exact mass
256.1787
XLogP
2.07
TPSA
69.64
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
69.45
Supplementary Information
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