(2S)-6-Oxo-1,2-piperidinedicarboxylic Acid 1,2-Bis(1,1-dimethylethyl) Ester - CAS 144403-08-7

Catalog:	BB076463
Product Name:	(2S)-6-Oxo-1,2-piperidinedicarboxylic Acid 1,2-Bis(1,1-dimethylethyl) Ester
CAS:	144403-08-7
Synonyms:	Di-tert-butyl (S)-6-oxopiperidine-1,2-dicarboxylate; N-acylated-piperidin-2-one; (2S)-6-Oxopiperidine-1,2-dicarboxylic acid di-tert-butyl ester; (S)-6-Oxo-piperidine-1,2-dicarboxylic acid di-tert-butyl ester; di(tert-butyl)-(2S)-6-oxotetrahydro-1,2(2H)-pyridinedicarboxylate

Technical Data

IUPAC Name:	ditert-butyl (2S)-6-oxopiperidine-1,2-dicarboxylate
Description:	(2S)-6-Oxo-1,2-piperidinedicarboxylic Acid 1,2-Bis(1,1-dimethylethyl) Ester is an intermediate in the synthesis of metabolites of lysine developed during aging and in diabetic patients.
Molecular Weight:	299.36
Molecular Formula:	C15H25NO5
Canonical SMILES:	CC(C)(C)OC(=O)C1CCCC(=O)N1C(=O)OC(C)(C)C
InChI:	InChI=1S/C15H25NO5/c1-14(2,3)20-12(18)10-8-7-9-11(17)16(10)13(19)21-15(4,5)6/h10H,7-9H2,1-6H3/t10-/m0/s1
InChI Key:	XLHNUTLFXNXQFB-JTQLQIEISA-N
Solubility:	Chloroform
Appearance:	Off-White Solid
References:	Marin, J., et al. J. Org. Chem., 67, 8440 (2002).

Complexity:	430
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	299.1732729
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	299.1732729
Rotatable Bond Count:	5
Topological Polar Surface Area:	72.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3