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204587-97-3 | Benzenepropanoic acid, β-amino-α-hydroxy-, 1,1-dimethylethyl ester, (αS,βS)-
CAS No: 204587-97-3 Catalog No: AG0029L5 MDL No:MFCD00798304
Product Description
Catalog Number:
AG0029L5
Chemical Name:
Benzenepropanoic acid, β-amino-α-hydroxy-, 1,1-dimethylethyl ester, (αS,βS)-
CAS Number:
204587-97-3
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
MDL Number:
MFCD00798304
IUPAC Name:
tert-butyl (2S,3S)-3-amino-2-hydroxy-3-phenylpropanoate
InChI:
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)11(15)10(14)9-7-5-4-6-8-9/h4-8,10-11,15H,14H2,1-3H3/t10-,11-/m0/s1
InChI Key:
FTDZKKASRJHWGD-QWRGUYRKSA-N
SMILES:
O=C([C@H]([C@H](c1ccccc1)N)O)OC(C)(C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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