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158807-51-3 | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (βR)-
CAS No: 158807-51-3 Catalog No: AG001QWF MDL No:MFCD09261404
Product Description
Catalog Number:
AG001QWF
Chemical Name:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (βR)-
CAS Number:
158807-51-3
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD09261404
IUPAC Name:
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
InChI:
InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-12(10-13(17)19-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)/t12-/m1/s1
InChI Key:
OCQYRBSHPIUCTQ-GFCCVEGCSA-N
SMILES:
COC(=O)C[C@H](c1ccccc1)NC(=O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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