Nombre: methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanoate
SMILES:
CC(C(=O)OC)NC1=CC2=C(C=C1)OCCO2Molecular Processing
Molecular formula
C12H15NO4
Molecular weight
237.25
Exact mass
237.1001
XLogP
1.43
TPSA
56.79
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
62.53
Supplementary Information
InChIKey: HAZIIZPGGDCQOM-QMMMGPOBSA-N
Sinónimos
SCHEMBL4413472HAZIIZPGGDCQOM-QMMMGPOBSA-NN-(3,4-ethylenedioxyphenyl)alanine methyl ester
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