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1002359-99-0 | 1-Piperidinecarboxylic acid, 3-[[(2,2,2-trifluoroacetyl)amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1002359-99-0 Catalog No: AG0001C5 MDL No:MFCD11110308
Product Description
Catalog Number:
AG0001C5
Chemical Name:
1-Piperidinecarboxylic acid, 3-[[(2,2,2-trifluoroacetyl)amino]methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1002359-99-0
Molecular Formula:
C13H21F3N2O3
Molecular Weight:
310.3126
MDL Number:
MFCD11110308
IUPAC Name:
tert-butyl (3S)-3-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C13H21F3N2O3/c1-12(2,3)21-11(20)18-6-4-5-9(8-18)7-17-10(19)13(14,15)16/h9H,4-8H2,1-3H3,(H,17,19)/t9-/m0/s1
InChI Key:
AHBUKYGLXRGHRL-VIFPVBQESA-N
SMILES:
O=C(N1CCC[C@H](C1)CNC(=O)C(F)(F)F)OC(C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.15g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.317g/mol
Monoisotopic Mass:
310.15g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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