COC(=O)C(CC1=CC=CC=C1)NC(=O)OC
CAS: 41844-71-7
Name: methyl (2S)-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-JTQLQIEISA-N
Synonyms
41844-71-7(S)-Methyl 2-((methoxycarbonyl)amino)-3-phenylpropanoateMethyl N-(methoxycarbonyl)-L-phenylalaninateMFCD00800358methyl (S)-2-methoxycarbonylamino-3-phenyl-propionatemethyl (2S)-2-(methoxycarbonylamino)-3-phenylpropanoateMETHYL (2S)-2-[(METHOXYCARBONYL)AMINO]-3-PHENYLPROPANOATESCHEMBL6295802DTXSID00442486JIHFRPSFLTXYEP-JTQLQIEISA-NAKOS015999556DB-360603N-methoxycarbonyl phenylalanine methyl esterN-methoxycarbonyl-L-phenylalanine methyl esterH51390methyl(S)-2-methoxycarbonylamino-3-phenyl-propionate(S)-Methyl2-((methoxycarbonyl)amino)-3-phenylpropanoate
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Involved in 13 reactions→

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