COC(=O)CC(C(=O)OCC1=CC=CC=C1)NCC2=CC=CC=C2
Name: 1-O-benzyl 4-O-methyl (2S)-2-(benzylamino)butanedioate
SMILES: COC(=O)CC(C(=O)OCC1=CC=CC=C1)NCC2=CC=CC=C2

Molecular Processing

Molecular formula
C19H21NO4
Molecular weight
327.38
Exact mass
327.1471
XLogP
2.45
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
89.94

Supplementary Information

InChIKey: CVHXUCQSSQMSNB-KRWDZBQOSA-N
Synonyme
SCHEMBL2171165CVHXUCQSSQMSNB-KRWDZBQOSA-N(S)-2-benzylamino-succinic acid 1-benzyl ester 4-methyl ester
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