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1002359-96-7 | 1-Piperidinecarboxylic acid, 3-[(2,2,2-trifluoroacetyl)amino]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1002359-96-7 Catalog No: AG0001C7 MDL No:
Product Description
Catalog Number:
AG0001C7
Chemical Name:
1-Piperidinecarboxylic acid, 3-[(2,2,2-trifluoroacetyl)amino]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002359-96-7
Molecular Formula:
C12H19F3N2O3
Molecular Weight:
296.2861
IUPAC Name:
tert-butyl (3S)-3-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C12H19F3N2O3/c1-11(2,3)20-10(19)17-6-4-5-8(7-17)16-9(18)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,18)/t8-/m0/s1
InChI Key:
ULGZYWKGIRXYNM-QMMMGPOBSA-N
SMILES:
O=C(N1CCC[C@@H](C1)NC(=O)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.29g/mol
Monoisotopic Mass:
296.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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