Home Carbonyls 4-amino-2-((tert-butoxycarbonyl)amino)benzoic acid

4-amino-2-((tert-butoxycarbonyl)amino)benzoic acid

CAS No.:
866329-51-3
Catalog Number:
AG01EIGE
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
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Product Description
Catalog Number:
AG01EIGE
Chemical Name:
4-amino-2-((tert-butoxycarbonyl)amino)benzoic acid
CAS Number:
866329-51-3
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9-6-7(13)4-5-8(9)10(15)16/h4-6H,13H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
SPMMESVAMLIEQT-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(N)ccc1C(=O)O)OC(C)(C)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties