COC(=O)C(CC1=CC=CC=C1)NC(=O)OC
CAS: 70288-75-4
名称: methyl 2-(methoxycarbonylamino)-3-phenylpropanoate
SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)OC

Molecular Processing

Molecular formula
C12H15NO4
Molecular weight
237.25
Exact mass
237.1001
XLogP
1.13
TPSA
64.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
61.49

Supplementary Information

InChIKey: JIHFRPSFLTXYEP-UHFFFAOYSA-N
同義語
Phenylalanine-N-carboxylic acid dimethyl ester70288-75-4methyl 2-(methoxycarbonylamino)-3-phenylpropanoateSCHEMBL7806984
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