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

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

CAS No.:
64263-83-8
Catalog Number:
AG01B7Y5
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
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Product Description
Catalog Number:
AG01B7Y5
Chemical Name:
2-{[(tert-butoxy)carbonyl](methyl)amino}-3-phenylpropanoic acid
CAS Number:
64263-83-8
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD00153311
IUPAC Name:
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16(4)12(13(17)18)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,17,18)
InChI Key:
AJGJINVEYVTDNH-UHFFFAOYSA-N
SMILES:
CN(C(C(=O)O)Cc1ccccc1)C(=O)OC(C)(C)C
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:
1  
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties