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1217774-23-6 | 3-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (3R,4R)-rel-
CAS No: 1217774-23-6 Catalog No: AG0015YD MDL No:MFCD09991632
Product Description
Catalog Number:
AG0015YD
Chemical Name:
3-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (3R,4R)-rel-
CAS Number:
1217774-23-6
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
MDL Number:
MFCD09991632
IUPAC Name:
methyl (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
InChI:
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-9-5-6-13-7-8(9)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16)/t8-,9-/m0/s1
InChI Key:
JZMRLHYTQICGLN-IUCAKERBSA-N
SMILES:
COC(=O)[C@@H]1CNCC[C@H]1NC(=O)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
258.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.318g/mol
Monoisotopic Mass:
258.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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