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111771-58-5 | (R)-2-[(tert-Butoxycarbonyl)amino]-2-methyl-3-phenylpropionic acid
CAS No: 111771-58-5 Catalog No: AG003A7G MDL No:MFCD02682284
Product Description
Catalog Number:
AG003A7G
Chemical Name:
(R)-2-[(tert-Butoxycarbonyl)amino]-2-methyl-3-phenylpropionic acid
CAS Number:
111771-58-5
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD02682284
IUPAC Name:
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H21NO4/c1-14(2,3)20-13(19)16-15(4,12(17)18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,19)(H,17,18)/t15-/m0/s1
InChI Key:
FAXPKABRZLISKX-HNNXBMFYSA-N
SMILES:
OC(=O)[C@@](Cc1ccccc1)(NC(=O)OC(C)(C)C)C
Properties
Complexity:
355
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:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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