AG0038P7

499995-74-3 | (S)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid

AG0038P7

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CAS Number	499995-74-3
Catalog Number	AG0038P7(AGN-PC-0OB4N4)
Chemical Name	(S)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid
IUPAC Name	(3S)-3-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO4/c1-10-7-5-6-8-11(10)12(9-13(17)18)16-14(19)20-15(2,3)4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key	WWDMSBGBNGEQDH-LBPRGKRZSA-N
MDL Number	MFCD03427895
Molecular Formula	C15H21NO4
Molecular Weight	279.3315
SMILES	OC(=O)C[C@@H](c1ccccc1C)NC(=O)OC(C)(C)C
Synonyms	499995-74-3, (S)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoic acid, Boc-2-methyl-D-beta-phenylalanine, Boc-(S)-3-Amino-3-(2-methyl-phenyl)-propionic acid, (3S)-3-[(TERT-BUTOXY)CARBONYLAMINO]-3-(2-METHYLPHENYL)PROPANOIC ACID, Boc-b-Phe(2-Me)-OH, Boc-?-Phe(2-Me)-OH, Boc-(R)-3-Amino-3-(2-methylphenyl)-propionic acid, SCHEMBL19744367, CTK4J1916, (S)-Boc-2-methyl-beta-Phe-OH, DTXSID20426607, (S)-Boc-2-methyl-|A-Phe-OH, Boc-2-methyl-D-|A-phenylalanine, ZINC2389129, MFCD03427895, AKOS013461737, AB15114, CB-2943, AC-22043, ACM499995743, AJ-35543, AK114921, BBV-38259574, PS-12463, SC-92658, AX8165043, RT-011642, FT-0654627, ST24036077, TL80073878, Z5883, A-8257, 995B743, (S)-3-(tert-butoxycarbonylamino)-3-o-tolylpropanoi, Boc-S-3-Amino-3-(2-methyl-phenyl)-propionic acid, I04-9902, (S)-3-(Boc-amino)-3-(2-methylphenyl)propionic acid, (S)-Boc-2-methyl-beta-Phe-OH, >=98.0% (HPLC), (S)-3-(TERT-BUTOXYCARBONYLAMINO)-3-O-TOLYLPROPANOIC ACID, (3S)-3-[(tert-Butoxycarbonyl)amino]-3-(2-methylphenyl)propanoic acid, (3S)-3-{[(tert-butoxy)carbonyl]amino}-3-(2-methylphenyl)propanoic acid, (3S)-3-(2-METHYLPHENYL)-3-[(2-METHYLPROPAN-2-YL)OXYCARBONYLAMINO]PROPANOIC ACID, C15H21NO4, ACN-026422, CB11766, CID7010248, Boc-(S)-3-amino-3-(2-methylphenyl)propionic acid, Boc-(S)-3-Amino-3-(2-methyl-phenyl)propionic acid, (S)-3-((tert-Butoxycarbonyl)amino)-3-(o-tolyl)propanoicacid, 500770-86-5, 3-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, Benzenepropanoic acid, |A-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (|AS)-,

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	2.3

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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