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

2-(2-{[(tert-butoxy)carbonyl](methyl)amino}ethyl)benzoic acid

CAS No.:
1564481-15-7
Catalog Number:
AG01ABNB
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
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Product Description
Catalog Number:
AG01ABNB
Chemical Name:
2-(2-{[(tert-butoxy)carbonyl](methyl)amino}ethyl)benzoic acid
CAS Number:
1564481-15-7
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD26904994
IUPAC Name:
2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]benzoic acid
InChI:
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16(4)10-9-11-7-5-6-8-12(11)13(17)18/h5-8H,9-10H2,1-4H3,(H,17,18)
InChI Key:
USZLAIJQIHIJIJ-UHFFFAOYSA-N
SMILES:
O=C(N(CCc1ccccc1C(=O)O)C)OC(C)(C)C
Properties
Complexity:
348  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties