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145011-61-6

145011-61-6 | 2,5-Piperidinedicarboxylic acid, 1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-, 2,5-diMethyl ester, (2R,5S)-rel-

CAS No: 145011-61-6 Catalog No: AG001KGK MDL No:

Product Description

Catalog Number:
AG001KGK
Chemical Name:
2,5-Piperidinedicarboxylic acid, 1-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-, 2,5-diMethyl ester, (2R,5S)-rel-
CAS Number:
145011-61-6
Molecular Formula:
C19H22N2O6
Molecular Weight:
374.3878
IUPAC Name:
dimethyl (2R,5S)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2,5-dicarboxylate
InChI:
InChI=1S/C19H22N2O6/c1-26-18(24)12-7-8-15(19(25)27-2)20(11-12)9-10-21-16(22)13-5-3-4-6-14(13)17(21)23/h3-6,12,15H,7-11H2,1-2H3/t12-,15+/m0/s1
InChI Key:
YALYADXFMBZGKU-SWLSCSKDSA-N
SMILES:
COC(=O)[C@H]1CC[C@@H](CN1CCN1C(=O)c2c(C1=O)cccc2)C(=O)OC

Properties

Complexity:
597  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
374.148g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.393g/mol
Monoisotopic Mass:
374.148g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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