(2E,4S)-5-[1,1'-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic Acid - CAS 1015037-46-3

Catalog:	BB073326
Product Name:	(2E,4S)-5-[1,1'-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic Acid
CAS:	1015037-46-3
Synonyms:	(E,4r)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pent-2-enoic acid; 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pent-2-enoic acid; (2E,4S)-5-[1,1'-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic acid; biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpent-2-enoic acid

Technical Data

IUPAC Name:	2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pent-2-enoic acid
Description:	(2E,4S)-5-[1,1'-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic Acid was used in the study to process for preparation of biaryl-substituted 4-aminobutyric acids by hydrogenation of the corresponding alkenoates.
Molecular Weight:	381.46
Molecular Formula:	C23H27NO4
Canonical SMILES:	CC(=CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O
InChI:	InChI=1S/C23H27NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-14,20H,15H2,1-4H3,(H,24,27)(H,25,26)
InChI Key:	JXTNUXJSXXIIFE-UHFFFAOYSA-N

Complexity:	549
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	381.19400834
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	381.19400834
Rotatable Bond Count:	8
Topological Polar Surface Area:	75.6Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	1
XLogP3:	4.7