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1260587-51-6 | 1,2-Piperidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS No: 1260587-51-6 Catalog No: AG000QUV MDL No:MFCD12756126
Product Description
Catalog Number:
AG000QUV
Chemical Name:
1,2-Piperidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2S)-
CAS Number:
1260587-51-6
Molecular Formula:
C13H21NO5
Molecular Weight:
271.3095
MDL Number:
MFCD12756126
IUPAC Name:
1-O-tert-butyl 2-O-ethyl (2S)-5-oxopiperidine-1,2-dicarboxylate
InChI:
InChI=1S/C13H21NO5/c1-5-18-11(16)10-7-6-9(15)8-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3/t10-/m0/s1
InChI Key:
RMDHGBVAOBPLIY-JTQLQIEISA-N
SMILES:
CCOC(=O)[C@@H]1CCC(=O)CN1C(=O)OC(C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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