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(2S,4S)-1-[(tert-butoxy)carbonyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid

CAS No.:
2137135-87-4
Catalog Number:
AG01EL0I
Molecular Formula:
C11H16F3NO5
Molecular Weight:
299.2436
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Product Description
Catalog Number:
AG01EL0I
Chemical Name:
(2S,4S)-1-[(tert-butoxy)carbonyl]-4-hydroxy-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CAS Number:
2137135-87-4
Molecular Formula:
C11H16F3NO5
Molecular Weight:
299.2436
MDL Number:
MFCD28975693
IUPAC Name:
(2S,4S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H16F3NO5/c1-9(2,3)20-8(18)15-5-10(19,11(12,13)14)4-6(15)7(16)17/h6,19H,4-5H2,1-3H3,(H,16,17)/t6-,10-/m0/s1
InChI Key:
WOBKBMPGYCRARV-WKEGUHRASA-N
SMILES:
OC(=O)[C@@H]1C[C@@](CN1C(=O)OC(C)(C)C)(O)C(F)(F)F
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
299.098g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
299.246g/mol
Monoisotopic Mass:
299.098g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties