AG003I6L

284493-53-4 | 3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid

AG003I6L

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CAS Number	284493-53-4
Catalog Number	AG003I6L(AGN-PC-0R4215)
Chemical Name	3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid
IUPAC Name	3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)
InChI Key	DNXONWHJJNOKEU-UHFFFAOYSA-N
MDL Number	MFCD02090693
Molecular Formula	C15H21NO5
Molecular Weight	295.3309
SMILES	O=C(O)CC(NC(OC(C)(C)C)=O)C1=CC=CC(OC)=C1
Synonyms	284493-53-4, 3-(Boc-amino)-3-(3-methoxyphenyl)propionic acid, 3-n-boc-3-(3-methoxyphenyl)propionic acid, 3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid, 3-[(tert-butoxycarbonyl)amino]-3-(3-methoxyphenyl)propanoic acid, MFCD02090693, 3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 3-[(tert-butoxy)carbonylamino]-3-(3-methoxyphenyl)propanoic acid, AC1MC1HN, ACMC-1CL2C, SCHEMBL1157107, CTK8C5997, DTXSID60370377, (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, KS-000020SU, SBB028598, AKOS005071243, MCULE-3263770397, RP15932, RTR-012548, ACM284493534, BBV-38207375, SC-55387, TR-012548, FT-0644336, ST50307479, 3-(boc-amino)-3-(3-methoxyphenyl)Propanoic acid, 493B534, 8R-0613, C-18506, I04-3925, J-510391, 3-(tert-butoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid, 3-(tert-Butoxycarbonylamino)-3-(3-methoxyphenyl)propionic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-(3-methoxyphenyl)propanoic acid, 3-n-(tert-butoxycarbonyl)-amino-3-(3-methoxyphenyl)propionic acid, (3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, 63557-38-0, 3- -3- PROPIONICACID, CID2734591, 2-Fluoro-4-(trifluoromethyl)benzonitrile, Boc-3-Amino-3-(3-methoxyphenyl)propionic acid, (R)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid, 500788-86-3, (S)-3-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid, 499995-77-6,

Complexity	364
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.142g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	295.335g/mol
Monoisotopic Mass	295.142g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	84.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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