Home Carbonyls 2-{[(tert-butoxy)carbonyl]amino}-2-[3-(trifluoromethyl)cyclohexyl]acetic acid, Mixture of diastereomers

2-{[(tert-butoxy)carbonyl]amino}-2-[3-(trifluoromethyl)cyclohexyl]acetic acid, Mixture of diastereomers

CAS No.:
2145574-11-2
Catalog Number:
AG01DW8J
Molecular Formula:
C14H22F3NO4
Molecular Weight:
325.3240
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Product Description
Catalog Number:
AG01DW8J
Chemical Name:
2-{[(tert-butoxy)carbonyl]amino}-2-[3-(trifluoromethyl)cyclohexyl]acetic acid, Mixture of diastereomers
CAS Number:
2145574-11-2
Molecular Formula:
C14H22F3NO4
Molecular Weight:
325.3240
MDL Number:
MFCD31667611
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[3-(trifluoromethyl)cyclohexyl]acetic acid
InChI:
InChI=1S/C14H22F3NO4/c1-13(2,3)22-12(21)18-10(11(19)20)8-5-4-6-9(7-8)14(15,16)17/h8-10H,4-7H2,1-3H3,(H,18,21)(H,19,20)
InChI Key:
QZZOKDOMUMZFFN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(C1CCCC(C1)C(F)(F)F)C(=O)O
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.15g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
325.328g/mol
Monoisotopic Mass:
325.15g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties