(2E,4S)-4-[(tert-Butyloxycarbonyl)amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester - CAS 328086-54-0

Catalog:	BB071614
Product Name:	(2E,4S)-4-[(tert-Butyloxycarbonyl)amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester
CAS:	328086-54-0
Synonyms:	(2E,4S)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester

Technical Data

IUPAC Name:	ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Description:	Used in the preparation of Rhinovirus protease inhibitors.
Molecular Weight:	326.39
Molecular Formula:	C16H26N2O5
Canonical SMILES:	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C16H26N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,17,20)(H,18,21)/b7-6+/t11-,12+/m0/s1
InChI Key:	FLAJQFOSRMJUDQ-FNSAGKMKSA-N
Solubility:	Dichloromethane, Ethyl Acetate, Methanol
Appearance:	Yellow Solid

Complexity:	468
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	1
Exact Mass:	326.18417193
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	326.18417193
Rotatable Bond Count:	9
Topological Polar Surface Area:	93.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2