AG00D94X

500789-04-8 | (R)-3-tert-Butoxycarbonylamino-3-(3-fluoro-phenyl)-propionic acid

AG00D94X

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CAS Number	500789-04-8
Catalog Number	AG00D94X(AGN-PC-0S645K)
Chemical Name	(R)-3-tert-Butoxycarbonylamino-3-(3-fluoro-phenyl)-propionic acid
IUPAC Name	(3R)-3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key	IQPQPXUDXQDVMK-LLVKDONJSA-N
MDL Number	MFCD03427956
Molecular Formula	C14H18FNO4
Molecular Weight	283.2954
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)C1=CC=CC(F)=C1
Synonyms	500789-04-8, (R)-3-tert-Butoxycarbonylamino-3-(3-fluorophenyl)propionic acid, (R)-3-tert-Butoxycarbonylamino-3-(3-fluoro-phenyl)-propionic acid, (R)-3-((tert-Butoxycarbonyl)amino)-3-(3-fluorophenyl)propanoic acid, (R)-N-BOC-3-(M-FLUOROPHENYL)-BETA-ALANINE, (R)-3-N-Boc-amino-3-(3-fluoro-phenyl)-propionic acid, PubChem13951, AC1MC5KS, Boc-R-3-Amino-3-(3-fluoro-phenyl)-propionic acid, Boc-(R)-3-Amino-3-(3-fluorophenyl)propionic acid, Boc-D-?-Phe(3-F)-OH, SCHEMBL17841461, CTK7I5281, DTXSID20375868, (3R)-3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, IQPQPXUDXQDVMK-LLVKDONJSA-N, ACT05076, ZINC2585850, ANW-47906, MFCD03427956, AS06741, CB-2942, AC-25388, ACM500789048, AJ-43611, AK-45059, AS-37728, BBV-38259541, BR-45059, SC-52731, AB0025136, AX8047496, ST2414478, TC-136651, FT-0630142, TL80073779, W6547, (R)-3-(M-FLUOROPHENYL)-BETA-ALANINE, S-4431, 789B048, Boc-(R)-3-Amino-3-(3-fluorophenyl)-propionic acid, N-Boc-(R)-3-amino-3-(3-fluorophenyl)propanoic acid, (R)-3-TERT-BUTOXYCARBONYLAMINO-3-(3-FLUORO-PHENYL), (3R)-3-[(tert-Butoxycarbonyl)amino]-3-(3-fluorophenyl)propanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(3-fluorophenyl)propanoic acid, -3- -BETA-ALANINE, C14H18FNO4, (r)-beta-(3-fluorophenyl)alanine, (r)-3-(3-fluorophenyl)-beta-alanine, CID2761714, (3R)-3-amino-3-(3-fluorophenyl)propanoic acid, (r)-3-amino-3-(3-fluoro-phenyl)-propanoic acid, (r)-3-amino-3-(3-fluoro-phenyl)-propionic acid, (R)-3-tert-Butoxycarbonylamino-3-(3-fluorophenyl)propionicacid, 3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	283.122g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	283.299g/mol
Monoisotopic Mass	283.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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