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1291351-83-1 | 2-Piperidinecarboxylic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester
CAS No: 1291351-83-1 Catalog No: AG000YVW MDL No:MFCD18089654
Product Description
Catalog Number:
AG000YVW
Chemical Name:
2-Piperidinecarboxylic acid, 5-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, methyl ester
CAS Number:
1291351-83-1
Molecular Formula:
C13H24N2O4
Molecular Weight:
272.3407
MDL Number:
MFCD18089654
IUPAC Name:
methyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate
InChI:
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-9-5-6-10(14-7-9)11(16)18-4/h9-10,14H,5-8H2,1-4H3,(H,15,17)
InChI Key:
IUKCWZAMOFLESG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(CN1)CNC(=O)OC(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.345g/mol
Monoisotopic Mass:
272.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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