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1147422-12-5 | 1,3-Piperidinedicarboxylic acid, 4-(1-azetidinyl)-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS No: 1147422-12-5 Catalog No: AG000F4S MDL No:
Product Description
Catalog Number:
AG000F4S
Chemical Name:
1,3-Piperidinedicarboxylic acid, 4-(1-azetidinyl)-, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number:
1147422-12-5
Molecular Formula:
C15H26N2O4
Molecular Weight:
298.3779
IUPAC Name:
1-O-tert-butyl 3-O-methyl 4-(azetidin-1-yl)piperidine-1,3-dicarboxylate
InChI:
InChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-9-6-12(16-7-5-8-16)11(10-17)13(18)20-4/h11-12H,5-10H2,1-4H3
InChI Key:
SLDPVSFZUCLIAY-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(CCC1N1CCC1)C(=O)OC(C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.383g/mol
Monoisotopic Mass:
298.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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