Home Carbonyls (4S)-4-{[(benzyloxy)carbonyl]amino}-5,5,5-trifluoropentanoic acid

(4S)-4-{[(benzyloxy)carbonyl]amino}-5,5,5-trifluoropentanoic acid

CAS No.:
1846630-71-4
Catalog Number:
AG01AP36
Molecular Formula:
C13H14F3NO4
Molecular Weight:
305.2498
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AP36
Chemical Name:
(4S)-4-{[(benzyloxy)carbonyl]amino}-5,5,5-trifluoropentanoic acid
CAS Number:
1846630-71-4
Molecular Formula:
C13H14F3NO4
Molecular Weight:
305.2498
MDL Number:
MFCD28388998
IUPAC Name:
5,5,5-trifluoro-4-(phenylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C13H14F3NO4/c14-13(15,16)10(6-7-11(18)19)17-12(20)21-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,20)(H,18,19)
InChI Key:
HGRWZNXUNKVNMS-UHFFFAOYSA-N
SMILES:
O=C(N[C@H](C(F)(F)F)CCC(=O)O)OCc1ccccc1
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.087g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
305.253g/mol
Monoisotopic Mass:
305.087g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties