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1313712-13-8 | 2-Piperidinecarboxylic acid, 1-[3-[[(1,1-dimethylethoxy)carbonyl]methylamino]propyl]-, methyl ester
CAS No: 1313712-13-8 Catalog No: AG000W0I MDL No:
Product Description
Catalog Number:
AG000W0I
Chemical Name:
2-Piperidinecarboxylic acid, 1-[3-[[(1,1-dimethylethoxy)carbonyl]methylamino]propyl]-, methyl ester
CAS Number:
1313712-13-8
Molecular Formula:
C16H30N2O4
Molecular Weight:
314.4204
IUPAC Name:
methyl 1-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]piperidine-2-carboxylate
InChI:
InChI=1S/C16H30N2O4/c1-16(2,3)22-15(20)17(4)10-8-12-18-11-7-6-9-13(18)14(19)21-5/h13H,6-12H2,1-5H3
InChI Key:
PCKBURMQDNEOFI-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCN1CCCNCC(=O)OC(C)(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.221g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.426g/mol
Monoisotopic Mass:
314.221g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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