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1-tert-butyl 2-ethyl (2S)-4-oxopiperidine-1,2-dicarboxylate

1-tert-butyl 2-ethyl (2S)-4-oxopiperidine-1,2-dicarboxylate

CAS: 180854-44-8

Formula: C13H21NO5

SMILES: CCOC(=O)[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C

IUPAC: 1-tert-butyl 2-ethyl (2S)-4-oxopiperidine-1,2-dicarboxylate

InChI: InChI=1S/C13H21NO5/c1-5-18-11(16)10-8-9(15)6-7-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3/t10-/m0/s1

Composition: C (57.55%), H (7.80%), N (5.16%), O (29.48%)

Molar Mass: 271.313

Atom Count: 40

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 271.14197278
Formal Charge 0
FSP3 0.77
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YAVQLRUBKDCOCI-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.51
Topological Polar Surface Area 72.91
Polarizability 26.78
Ring Count 1
Rotatable Bond Count 5

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