AG002SDW

262301-38-2 | Benzenepropanoic acid, α-​[[[(1,​1-​dimethylethoxy)​carbonyl]​amino]​methyl]​-​, (αR)​-

AG002SDW

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CAS Number	262301-38-2
Catalog Number	AG002SDW(AGN-PC-0R23TM)
Chemical Name	Benzenepropanoic acid, α-​[[[(1,​1-​dimethylethoxy)​carbonyl]​amino]​methyl]​-​, (αR)​-
IUPAC Name	(2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChI Key	ZYCITKXROAFBAR-GFCCVEGCSA-N
MDL Number	MFCD07372496
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	C([C@H](CNC(=O)OC(C)(C)C)C(=O)O)c1ccccc1
Synonyms	262301-38-2, (R)-2-benzyl-3-(tert-butoxycarbonylamino)propanoic acid, (R)-2-Benzyl-3-((tert-butoxycarbonyl)amino)propanoic acid, Boc-(R)-3-amino-2-benzylpropanoic acid, (2R)-2-Benzyl-3-[(tert-butoxycarbonyl)amino]propanoic acid, (2R)-2-benzyl-3-{[(tert-butoxy)carbonyl]amino}propanoic acid, (2R)-2-Benzyl-3-[(tert-butoxycarbonyl)-amino]propanoic acid, (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, (2R)-2-benzyl-3-(tert-butoxycarbonylamino)propanoic acid, (2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenyl-propanoic acid, (2R)-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-phenylpropanoic acid, (2R)-2-benzyl-3-[[(tert-butoxy)carbonyl]amino]propanoic acid, AK-25678, (R)-2-benzyl-3-(tert-butoxycarbonylamino)propanoicacid, AC1OGVR4, SCHEMBL825959, CTK4F7495, DTXSID00428361, ZYCITKXROAFBAR-GFCCVEGCSA-N, ZINC4299271, ZX-AT012924, 2296AB, ANW-72784, MFCD07372496, SBB052744, AKOS015949988, AB34729, CB-2757, OR40214, RP29814, BOC-(R)-BETA2-HOMOPHENYLALANINE, KS-0000056Q, AJ-50515, AN-29214, DS-10532, SC-50363, AX8032942, DB-011738, ST2414459, TL8007295, TX-015679, A5214, CS-0038110, FT-0771921, (R)-2-Benzyl-3-(N-Boc-amino)propanoic acid, A818344, Benzenepropanoic acid, a-[[[(1,1-dimethylethoxy)ca, (2R)-N-(tert-Butoxycarbonyl)-2-benzyl-beta-alanine, (2R)-2-benzyl-3-(tert-butoxycarbonylamino)propionic acid, (2R)-3-[(tert-butoxy)carbonylamino]-2-benzylpropanoic acid, (R)-2-((tert-butoxycarbonyl)methyl)-3-phenylpropanoic acid, (2R)-2-(tert-Butoxycarbonylamino)methyl-3-phenylpropanoic acid, Benzenepropanoic acid, a-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, C15H21NO4, ACN-026036, CID7176387, ?2-Benzyl-3-(Boc-amino)propanoic acid, 26250-90-8, 189619-55-4, BENZENEPROPANOIC ACID, ALPHA-[[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]METHYL]-, (ALPHAR)-,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	279.147g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	279.336g/mol
Monoisotopic Mass	279.147g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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