Home Carbonyls (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid

(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid

CAS No.:
143415-62-7
Catalog Number:
AG003OFK
Molecular Formula:
C18H27NO4
Molecular Weight:
321.4113
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Product Description
Catalog Number:
AG003OFK
Chemical Name:
(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(tert-butyl)phenyl)propanoic acid
CAS Number:
143415-62-7
Molecular Formula:
C18H27NO4
Molecular Weight:
321.4113
MDL Number:
MFCD02094432
IUPAC Name:
(2S)-3-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C18H27NO4/c1-17(2,3)13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)23-18(4,5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChI Key:
NGWQIBYYDHXJJR-AWEZNQCLSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
321.194g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.417g/mol
Monoisotopic Mass:
321.194g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties