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1263094-44-5 | 4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, ethanedioate (1:1)
CAS No: 1263094-44-5 Catalog No: AG000SJJ MDL No:
Product Description
Catalog Number:
AG000SJJ
Chemical Name:
4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, ethanedioate (1:1)
CAS Number:
1263094-44-5
Molecular Formula:
C14H24N2O8
Molecular Weight:
348.3490
IUPAC Name:
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;oxalic acid
InChI:
InChI=1S/C12H22N2O4.C2H2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12;3-1(4)2(5)6/h13H,5-8H2,1-4H3,(H,14,16);(H,3,4)(H,5,6)
InChI Key:
NFDLPOBMHWZKGP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.COC(=O)C1(CCNCC1)NC(=O)OC(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
348.352g/mol
Monoisotopic Mass:
348.153g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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