Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-2-(4-tert-butylphenyl)acetic acid

2-{[(tert-butoxy)carbonyl]amino}-2-(4-tert-butylphenyl)acetic acid

CAS No.:
1336889-00-9
Catalog Number:
AG01EKCG
Molecular Formula:
C17H25NO4
Molecular Weight:
307.3847
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Product Description
Catalog Number:
AG01EKCG
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-(4-tert-butylphenyl)acetic acid
CAS Number:
1336889-00-9
Molecular Formula:
C17H25NO4
Molecular Weight:
307.3847
MDL Number:
MFCD07388882
IUPAC Name:
2-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
InChI:
InChI=1S/C17H25NO4/c1-16(2,3)12-9-7-11(8-10-12)13(14(19)20)18-15(21)22-17(4,5)6/h7-10,13H,1-6H3,(H,18,21)(H,19,20)
InChI Key:
BBLQLQNIDJOGBJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccc(cc1)C(C)(C)C)C(=O)O
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.178g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.39g/mol
Monoisotopic Mass:
307.178g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties