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161671-34-7 | Benzenepropanoic acid, β-amino-, 1,1-dimethylethyl ester, (βR)-
CAS No: 161671-34-7 Catalog No: AG001VSN MDL No:MFCD00798309
Product Description
Catalog Number:
AG001VSN
Chemical Name:
Benzenepropanoic acid, β-amino-, 1,1-dimethylethyl ester, (βR)-
CAS Number:
161671-34-7
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD00798309
IUPAC Name:
tert-butyl (3R)-3-amino-3-phenylpropanoate
InChI:
InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/t11-/m1/s1
InChI Key:
TYYCBAISLMKLMT-LLVKDONJSA-N
SMILES:
N[C@@H](c1ccccc1)CC(=O)OC(C)(C)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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