AG007P05

218609-00-8 | Boc-(r)-3-amino-4-(4-fluoro-phenyl)-butyric acid

AG007P05

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CAS Number	218609-00-8
Catalog Number	AG007P05(AGN-PC-0QYDXP)
Chemical Name	Boc-(r)-3-amino-4-(4-fluoro-phenyl)-butyric acid
IUPAC Name	(3R)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChI Key	KEGMJLZICKHWIR-GFCCVEGCSA-N
MDL Number	MFCD01076280
Molecular Formula	C15H20FNO4
Molecular Weight	297.3220
SMILES	O=C(O)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(F)C=C1
Synonyms	218609-00-8, (R)-3-((tert-Butoxycarbonyl)amino)-4-(4-fluorophenyl)butanoic acid, Boc-(R)-3-Amino-4-(4-fluorophenyl)butanoic acid, (3R)-4-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, (3R)-3-(tert-butoxycarbonylamino)-4-(4-fluorophenyl)butanoic acid, (3R)-3-[(tert-butoxycarbonyl)amino]-4-(4-fluorophenyl)butanoic acid, AK162608, AC1ODVN4, Boc-D-?-Homophe(4-F)-OH, SCHEMBL4895414, CTK7I5248, KEGMJLZICKHWIR-GFCCVEGCSA-N, KS-00000HS2, ZINC2572727, CB-808, MFCD01076280, AKOS025117402, Boc-4-fluoro-D-beta-homophenylalanine, DS-7832, AC-22208, AN-29519, CC-24870, SC-32815, AX8016062, FT-0644005, ST24035414, V1045, K-6199, 609B008, C-18625, J-014320, (r)-3-tert-butoxycarbonylamino-4-(4-fluorophenyl)butanoic acid, (3R)-3-(tert-butoxycarbonylamino)-4-(4-fluorophenyl)butyric acid, (R)-3-(tert-butoxycarbonylamino)-4-(4-fluorophenyl)butanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-(4-fluorophenyl)butanoic acid, (R)-3-TERT-BUTOXYCARBONYLAMINO-4-(4-FLUORO-PHENYL)-BUTYRIC ACID, (3R)-4-(4-fluorophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, BOC-(R)-3- degrees +/->>u-4-(4-.u+/-(1/2)>>u)- paragraph sign inverted exclamation markEa, C15H20FNO4, Boc-(R)-3-Amino-4-(4-fluorophenyl)butyric acid, Boc-(R)-3-Amino-4-(4-fluoro-phenyl)-butyric acid, ACN-026205, CID7021573, Boc-(R)-3-amino-4-(4-fluorophenyl)-butyric acid, Boc-(S)-3-Amino-4-(4-fluoro-phenyl)-butyric acid, Benzenebutanoic acid, |A-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-, (|AR)-, 218608-97-0,

Complexity	359
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number