AG000FDO

114873-14-2 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-

AG000FDO

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CAS Number	114873-14-2
Catalog Number	AG000FDO(AGN-PC-0NYKSZ)
Chemical Name	D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
IUPAC Name	(2R)-3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO4/c1-10-6-5-7-11(8-10)9-12(13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChI Key	HBBXWMALJNZDOM-GFCCVEGCSA-N
MDL Number	MFCD01862943
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC(C)=C1
Synonyms	114873-14-2, Boc-3-methyl-D-phenylalanine, Boc-D-Phe(3-Me)-OH, Boc-D-3-Methylphenylalanine, BOC-D-3-METHYLPHE, (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid, MFCD01862943, AK163600, Boc-D-3-Methyl phenylalanine, SCHEMBL268722, CTK8C5722, KS-00000HSZ, HBBXWMALJNZDOM-GFCCVEGCSA-N, BOC-3-METHY-D-PHENYLALANINE, ZINC2386872, ZX-AT014544, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(3-methylphenyl)propanoic acid, CB-473, AKOS015836553, AB10278, AC-9923, AM83422, DS-8270, OR14569, RTR-002715, AX8016100, tert-Butoxycarbonyl-D-3-methylphenylalanine, TL8000441, TR-002715, FT-0642796, 73M142, K-1070, Boc-D-Phe(3-Me)-OH, >=98.0% (TLC), N-(tert-butoxycarbonyl)-3-methyl-D-phenylalanine, C-17577, J-003151, (2R)-2-(tert-butoxycarbonylamino)-3-(m-tolyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(m-tolyl)propionic acid, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-, (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-M-TOLYLPROPANOIC ACID, (2R)-3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, (2R)-3-(3-methylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, Boc-3-methyl-L-phenylalanine, Boc-L-3-Methylphenylalanine, BOC-D-3-, CID7010034, 114873-06-2, 3-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	348
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	6
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

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