Home Carbonyls (R)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid

(R)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid

CAS No.:
500770-86-5
Catalog Number:
AG006W0Q
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
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Product Description
Catalog Number:
AG006W0Q
Chemical Name:
(R)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid
CAS Number:
500770-86-5
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD03427933
IUPAC Name:
(3R)-3-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChI Key:
WWDMSBGBNGEQDH-GFCCVEGCSA-N
SMILES:
OC(=O)C[C@H](c1ccccc1C)NC(=O)OC(C)(C)C
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties