Home Carbonyls 3-{[(tert-butoxy)carbonyl]amino}-2-methyl-3-phenylpropanoic acid

3-{[(tert-butoxy)carbonyl]amino}-2-methyl-3-phenylpropanoic acid

CAS No.:
683219-04-7
Catalog Number:
AG019SWF
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
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Product Description
Catalog Number:
AG019SWF
Chemical Name:
3-{[(tert-butoxy)carbonyl]amino}-2-methyl-3-phenylpropanoic acid
CAS Number:
683219-04-7
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD03003711
IUPAC Name:
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H21NO4/c1-10(13(17)18)12(11-8-6-5-7-9-11)16-14(19)20-15(2,3)4/h5-10,12H,1-4H3,(H,16,19)(H,17,18)
InChI Key:
RPHRJSPXJCPPIP-UHFFFAOYSA-N
SMILES:
CC(C(c1ccccc1)NC(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
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:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties