AG003OEL

269398-80-3 | (R)-3-((tert-Butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid

AG003OEL

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CAS Number	269398-80-3
Catalog Number	AG003OEL(AGN-PC-0R2UC0)
Chemical Name	(R)-3-((tert-Butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid
IUPAC Name	(3R)-4-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C16H23NO4/c1-11-7-5-6-8-12(11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChI Key	USTHBHOCUVYEFP-CYBMUJFWSA-N
MDL Number	MFCD01860922
Molecular Formula	C16H23NO4
Molecular Weight	293.3581
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1C
Synonyms	269398-80-3, Boc-(R)-3-Amino-4-(2-methylphenyl)butanoic acid, (R)-3-((tert-butoxycarbonyl)amino)-4-(o-tolyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(o-tolyl)butanoic acid, Boc-2-methyl-D-beta-homophenylalanine, Boc-D-?-Homophe(2-Me)-OH, KS-000001HF, ZINC2385818, MFCD01860922, AKOS025401566, CB-1304, RTR-012134, (3R)-4-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, AC-22225, ACM269398803, AK188097, AN-29262, CC-24856, PS-12259, TR-012134, FT-0644202, (R)-2-Methyl-b-(Boc-amino)benzenebutanoic acid, 398B803, C-18406, (R)-3-(tert-butoxycarbonylamino)-4-o-tolylbutanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(o-tolyl)butyric acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2-methylphenyl)butanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(2-methylphenyl)butanoic acid, (R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2-methylphenyl)butanoic acid, (3R)-4-(2-methylphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, Boc-(R)-3-Amino-4-(2-methyl-phenyl)-butyric acid, CID7009745, BOC- -3-AMINO-4- -BUTYRICACID, Boc-(R)-3-amino-4-(2-methylphenyl)-butyric acid,

Complexity	362
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	293.163g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	293.363g/mol
Monoisotopic Mass	293.163g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

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