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1389251-05-1 | 1,2-Piperidinedicarboxylic acid, 4-oxo-, 2-ethyl 1-(phenylmethyl) ester, (2S)-
CAS No: 1389251-05-1 Catalog No: AG0019UP MDL No:
Product Description
Catalog Number:
AG0019UP
Chemical Name:
1,2-Piperidinedicarboxylic acid, 4-oxo-, 2-ethyl 1-(phenylmethyl) ester, (2S)-
CAS Number:
1389251-05-1
Molecular Formula:
C16H19NO5
Molecular Weight:
305.3258
IUPAC Name:
1-O-benzyl 2-O-ethyl (2S)-4-oxopiperidine-1,2-dicarboxylate
InChI:
InChI=1S/C16H19NO5/c1-2-21-15(19)14-10-13(18)8-9-17(14)16(20)22-11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3/t14-/m0/s1
InChI Key:
DLDMXXVHUGJXPY-AWEZNQCLSA-N
SMILES:
CCOC(=O)[C@@H]1CC(=O)CCN1C(=O)OCc1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
305.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.33g/mol
Monoisotopic Mass:
305.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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