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114873-05-1

114873-05-1 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-

CAS No: 114873-05-1 Catalog No: AG000FDW MDL No:MFCD00671390

Product Description

Catalog Number:
AG000FDW
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-
CAS Number:
114873-05-1
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD00671390
IUPAC Name:
(2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key:
PCGOCPOJLMLJAR-LBPRGKRZSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccccc1C

Properties

Complexity:
348  
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:
2.9  

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