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

3-(2-{[(tert-butoxy)carbonyl]amino}phenyl)propanoic acid

CAS No.:
1070955-54-2
Catalog Number:
AG01BG4I
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
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Product Description
Catalog Number:
AG01BG4I
Chemical Name:
3-(2-{[(tert-butoxy)carbonyl]amino}phenyl)propanoic acid
CAS Number:
1070955-54-2
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD24465890
IUPAC Name:
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
InChI:
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11-7-5-4-6-10(11)8-9-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChI Key:
OXMFLNWMXGZFPZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccccc1NC(=O)OC(C)(C)C
Properties
Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties