rel-1-benzyl 2-methyl (1R,2S)-4-oxocyclopentane-1,2-dicarboxylate - CAS 164916-54-5

Name: rel-1-benzyl 2-methyl (1R,2S)-4-oxocyclopentane-1,2-dicarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012148
Product Name:	rel-1-benzyl 2-methyl (1R,2S)-4-oxocyclopentane-1,2-dicarboxylate
CAS:	164916-54-5
Synonyms:	(1S,2R)-4-oxocyclopentane-1,2-dicarboxylic acid O1-methyl ester O2-(phenylmethyl) ester; 2-O-benzyl 1-O-methyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate

Technical Data

IUPAC Name:	2-O-benzyl 1-O-methyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
Description:	rel-1-benzyl 2-methyl (1R,2S)-4-oxocyclopentane-1,2-dicarboxylate (CAS# 164916-54-5 ) is a useful research chemical.
Molecular Weight:	276.288
Molecular Formula:	C15H16O5
Canonical SMILES:	COC(=O)C1CC(=O)CC1C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C15H16O5/c1-19-14(17)12-7-11(16)8-13(12)15(18)20-9-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3/t12-,13+/m0/s1
InChI Key:	IPBOISVEVUERBN-QWHCGFSZSA-N
LogP:	1.49810

Publication Number	Title	Priority Date
US-2003087882-A1	Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE)	20010315
US-2004132693-A1	Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE)	20010315
US-6720329-B2	Spiro-cyclic Î²-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-Î± converting enzyme (TACE)	20010315
US-6962938-B2	Spiro-cyclic Î²-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-Î± converting enzyme (TACE)	20010315
WO-02074738-A2	Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteinases and tnf-alpha converting enzyme (tage)	20010315

Complexity:	384
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	276.09977361
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	276.09977361
Rotatable Bond Count:	6
Topological Polar Surface Area:	69.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9