AG008NG7

80102-23-4 | (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid

AG008NG7

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CAS Number	80102-23-4
Catalog Number	AG008NG7(AGN-PC-0OIC8W)
Chemical Name	(R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid
IUPAC Name	(2R)-3-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key	TUUQJNHCVFJMPU-LLVKDONJSA-N
MDL Number	MFCD00801056
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	O=C(O)[C@@H](CC1=CC=CC=C1Cl)NC(OC(C)(C)C)=O
Synonyms	80102-23-4, Boc-2-chloro-D-phenylalanine, Boc-D-2-Chlorophe, (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid, Boc-D-2-Chlorophenylalanine, Boc-D-Phe(2-Cl)-OH, MFCD00801056, D-Phenylalanine, 2-chloro-N-[(1,1-dimethylethoxy)carbonyl]-, (2R)-3-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-L-phe(2-Cl)-OH, N-Boc-2-chloro-D-phenylalanine, AK-81114, AC1ODUTA, KSC916S4B, (Boc-L-2-Chlorophenylalanine), AMGLY00208, SCHEMBL3485116, CTK8B6940, TUUQJNHCVFJMPU-LLVKDONJSA-N, KS-00000JP3, ZINC2570191, ZX-AT014484, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(2-chlorophenyl)propanoic acid, ANW-54984, CB-732, KM2010, BOC-D-2-CHLOORO PHENYLALANINE, AB07309, AC-5840, AM82736, OR14541, RTR-025386, VZ36661, AJ-41842, PS-12130, AB0049489, AX8022664, TL8000432, FT-0653028, FT-0655439, ST24035231, ST51037516, 02C234, Boc-D-Phe(2-Cl)-OH, >=98.0% (TLC), N-(tert-butoxycarbonyl)-2-chloro-D-phenylalanine, I01-5154, N-TERT-BUTOXYCARBONYL-D-2-CHLORO PHENYLALANINE, (2R)-2-(tert-butoxycarbonylamino)-3-(2-chlorophenyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(2-chlorophenyl)propionic acid, (2R)-2-[(tert-butoxy)carbonylamino]-3-(2-chlorophenyl)propanoic acid, (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(2-chlorophenyl)propanoic acid, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(2-CHLOROPHENYL)PROPANOIC ACID, (2R)-3-(2-chlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, ACN-040947, CID7021188, 114873-02-8, 3-(2-chlorophenyl)-2-[(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	299.092g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	299.751g/mol
Monoisotopic Mass	299.092g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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