Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-4-methyl-2-(trifluoromethyl)pentanoic acid

2-{[(tert-butoxy)carbonyl]amino}-4-methyl-2-(trifluoromethyl)pentanoic acid

CAS No.:
170462-69-8
Catalog Number:
AG01EKCN
Molecular Formula:
C12H20F3NO4
Molecular Weight:
299.2867
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Product Description
Catalog Number:
AG01EKCN
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-4-methyl-2-(trifluoromethyl)pentanoic acid
CAS Number:
170462-69-8
Molecular Formula:
C12H20F3NO4
Molecular Weight:
299.2867
MDL Number:
MFCD24473304
IUPAC Name:
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)pentanoic acid
InChI:
InChI=1S/C12H20F3NO4/c1-7(2)6-11(8(17)18,12(13,14)15)16-9(19)20-10(3,4)5/h7H,6H2,1-5H3,(H,16,19)(H,17,18)
InChI Key:
MUJOGMJYEGHPQF-UHFFFAOYSA-N
SMILES:
CC(CC(C(F)(F)F)(C(=O)O)NC(=O)OC(C)(C)C)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.134g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.29g/mol
Monoisotopic Mass:
299.134g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties