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

2-{[(tert-butoxy)carbonyl]amino}-4-[(trifluoromethyl)sulfanyl]butanoic acid

CAS No.:
143673-83-0
Catalog Number:
AG01EKFQ
Molecular Formula:
C10H16F3NO4S
Molecular Weight:
303.2985
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Product Description
Catalog Number:
AG01EKFQ
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-4-[(trifluoromethyl)sulfanyl]butanoic acid
CAS Number:
143673-83-0
Molecular Formula:
C10H16F3NO4S
Molecular Weight:
303.2985
MDL Number:
MFCD01081854
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethylsulfanyl)butanoic acid
InChI:
InChI=1S/C10H16F3NO4S/c1-9(2,3)18-8(17)14-6(7(15)16)4-5-19-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
SXGHUJFMBJJFEU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C(=O)O)CCSC(F)(F)F
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
303.296g/mol
Monoisotopic Mass:
303.075g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties