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

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

CAS No.:
2004594-41-4
Catalog Number:
AG01EL0X
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
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Product Description
Catalog Number:
AG01EL0X
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-methyl-3-phenoxypropanoic acid
CAS Number:
2004594-41-4
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
MDL Number:
MFCD31666725
IUPAC Name:
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenoxypropanoic acid
InChI:
InChI=1S/C15H21NO5/c1-14(2,3)21-13(19)16-15(4,12(17)18)10-20-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,19)(H,17,18)
InChI Key:
SMBUAVXMUIDAJO-UHFFFAOYSA-N
SMILES:
OC(=O)C(NC(=O)OC(C)(C)C)(COc1ccccc1)C
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.142g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
295.335g/mol
Monoisotopic Mass:
295.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties