C1=CC=C(C=C1)CCC(C(=O)OCC2=CC=CC=C2)N
Name: benzyl (2R)-2-amino-4-phenylbutanoate
SMILES: C1=CC=C(C=C1)CCC(C(=O)OCC2=CC=CC=C2)N

Molecular Processing

Molecular formula
C17H19NO2
Molecular weight
269.34
Exact mass
269.1416
XLogP
2.69
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
78.98

Supplementary Information

InChIKey: VYEIIPLQOBKTAZ-MRXNPFEDSA-N
Synonyms
SCHEMBL1245400D-Homophenylalanine Benzyl esterSCHEMBL27517895VYEIIPLQOBKTAZ-MRXNPFEDSA-N
View source →
Involved in 5 reactions→

Extended Search

Substructure Search→Similarity Search→