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115655-44-2 | 4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 115655-44-2 Catalog No: AG000GPB MDL No:MFCD06796557
Product Description
Catalog Number:
AG000GPB
Chemical Name:
4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
115655-44-2
Molecular Formula:
C12H22N2O4
Molecular Weight:
258.3141
MDL Number:
MFCD06796557
IUPAC Name:
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
InChI:
InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)
InChI Key:
XWBFIPVPQLAHMA-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCNCC1)NC(=O)OC(C)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0.8
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