COC(=O)[C@@H](N)CCC(=O)OC(C)(C)C
Name: (S)-2-amino-pentanedioic acid 5-tert-butyl ester 1-methyl ester
SMILES: COC(=O)[C@@H](N)CCC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C10H19NO4
Molecular weight
217.26
Exact mass
217.1314
XLogP
0.61
TPSA
78.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
55.07

Supplementary Information

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