Home Carbonyls 4-{[(tert-butoxy)carbonyl]amino}-4-phenylbutanoic acid

4-{[(tert-butoxy)carbonyl]amino}-4-phenylbutanoic acid

CAS No.:
683219-93-4
Catalog Number:
AG01AB2J
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
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Product Description
Catalog Number:
AG01AB2J
Chemical Name:
4-{[(tert-butoxy)carbonyl]amino}-4-phenylbutanoic acid
CAS Number:
683219-93-4
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD03412510
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
InChI:
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12(9-10-13(17)18)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
JBLPDLBZBHAMPD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccccc1)CCC(=O)O
Properties
Complexity:
329  
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:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties