AG0032F5

218608-98-1 | Boc-(r)-3-amino-4-(2-fluoro-phenyl)-butyric acid

AG0032F5

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CAS Number	218608-98-1
Catalog Number	AG0032F5(AGN-PC-0QYDX8)
Chemical Name	Boc-(r)-3-amino-4-(2-fluoro-phenyl)-butyric acid
IUPAC Name	(3R)-4-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChI Key	PUMMDCKRQRQFAD-LLVKDONJSA-N
MDL Number	MFCD01076278
Molecular Formula	C15H20FNO4
Molecular Weight	297.3220
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1F
Synonyms	218608-98-1, Boc-(R)-3-amino-4-(2-fluoro-phenyl)-butyric acid, (R)-3-((tert-butoxycarbonyl)amino)-4-(2-fluorophenyl)butanoic acid, Boc-(R)-3-Amino-4-(2-fluorophenyl)butyric acid, Boc-(R)-3-amino-4-(2-fluorophenyl)-butyric acid, Boc-(R)-3-Amino-4-(2-fluorophenyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(2-fluorophenyl)butanoic acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoic acid, Boc-2-fluoro-D-beta-homophenylalanine, (3R)-4-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid, Sitagliptin impurity M, AC1ODVMV, Boc-D-?-Homophe(2-F)-OH, SCHEMBL3997764, PUMMDCKRQRQFAD-LLVKDONJSA-N, ZINC2572725, CB-806, MFCD01076278, AKOS025401561, RTR-010248, AC-22199, ACM218608981, AK188088, AN-29517, CC-24854, PS-12093, TR-010248, FT-0644003, 608B981, C-18623, (r)-3-tert-butoxycarbonylamino-4-(2-fluorophenyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(2-fluorophenyl)butyric acid, (3R)-3-[(tert-Butoxycarbonyl)amino]4-(2-fluorophenyl)butanoic acid, (R)-3-(tert-butoxycarbonylamino)-4-(2-fluorophenyl)butanoic acid, (R)-3-tert-butoxycarbonylamino-4-(2-fluoro-phenyl)-butyric acid, (R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2-fluorophenyl)butyric acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(2-fluorophenyl)butanoic acid, (3R)-4-(2-fluorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, CID7021570, (3S)-4-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	297.138g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	297.326g/mol
Monoisotopic Mass	297.138g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

Lot Number