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1005397-64-7 | 1-Piperidinecarboxylic acid, 2,6-dimethyl-4-oxo-, 1,1-dimethylethyl ester, (2R,6S)-rel-
CAS No: 1005397-64-7 Catalog No: AG0002A4 MDL No:MFCD19230167
Product Description
Catalog Number:
AG0002A4
Chemical Name:
1-Piperidinecarboxylic acid, 2,6-dimethyl-4-oxo-, 1,1-dimethylethyl ester, (2R,6S)-rel-
CAS Number:
1005397-64-7
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD19230167
IUPAC Name:
tert-butyl (2S,6R)-2,6-dimethyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9+
InChI Key:
ADBYGASBXODWTQ-DTORHVGOSA-N
SMILES:
C[C@@H]1CC(=O)C[C@@H](N1C(=O)OC(C)(C)C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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