AG003I6M

284493-65-8 | 3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid

AG003I6M

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CAS Number	284493-65-8
Catalog Number	AG003I6M(AGN-PC-0KK6JS)
Chemical Name	3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid
IUPAC Name	3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key	ZPXVKCUGZBGIBW-UHFFFAOYSA-N
MDL Number	MFCD02090708
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	O=C(O)CC(NC(OC(C)(C)C)=O)C1=CC=C(Cl)C=C1
Synonyms	284493-65-8, 3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid, 3-(Boc-amino)-3-(4-chlorophenyl)propionic Acid, 3-BOC-AMINO-3-(4'-CHLOROPHENYL) PROPIOINIC ACID, 3-N-Boc-Amino-3-(4-chlorophenyl)propionic acid, 3-tert-Butoxycarbonylamino-3-(4-chloro-phenyl)-propionic acid, 3-Boc-Amino-3-(4'-Chlorophenyl)propioinic acid, 3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid, 3-[(tert-butoxycarbonyl)amino]-3-(4-chlorophenyl)propanoic acid, MFCD02090708, DL-N-Boc-beta-(4-Chlorophenyl)alanine, AK-51609, 3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 3-Boc-amino-3-(4'-chlorophenyl)propioinc acid, Q-102248, 3-[(tert-butoxy)carbonylamino]-3-(4-chlorophenyl)propanoic acid, AK-42273, Boc-R-3-Amino-3-(4-chloro-phenyl)-propionic acid, SCHEMBL391918, AC1MC120, CTK7J1666, DTXSID70370287, (3R)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, 3-tert-Butoxycarbonylamino-3-(4-chloro-phenyl)-propionicacid, ACN-S003028, ACT09478, CB-319, SBB002971, AKOS009461891, AC-6677, AN-9781, CS-W002875, MCULE-9941800614, RTC-061046, TRA0138318, VC31148, dl-n-boc-(4-chlorophenyl)-beta-alanine, dl-n-boc-beta-(4-chlorophenyl)-alanine, BBV-38207373, BR-51609, DS-13926, ST058417, SY014450, AB0006022, AX8019966, DB-031735, ST2404679, TC-061046, A5397, A7312, FT-0613719, W5117, boc-3-amino-3-(4-chlorophenyl)-propionic acid, S-2309, 3-N-BOC-Amino-3-(4-chlorophenyl)propionicacid, MFCD02090708 (97+%), boc-dl-3-amino-3-(4-chloro-phenyl)-propionic acid, (r,s)-3-(boc-amino)-3-(4-chlorophenyl)propanoic acid, 3-(tert-butoxycarbonyl)-3-(4-chlorophenyl)propanoic acid, 3-tert-Butoxycarbonylamino-3-(4-chlorophenyl)propanoic acid, 3-tert-butoxycarbonylamino-3-(4-chlorophenyl)propionic acid, (R)-3-(tert-butoxycarbonyl)-3-(4-chlorophenyl)propanoic acid, 3-(tert-Butoxycarbonylamino)-3-(4-chlorophenyl)propionic acid, (R)-3-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoicacid, 3- tert -Butoxycarbonylamino-3-(4-chloro-phenyl)-propionic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)propanoic acid, (3S)-3-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, C14H18ClNO4, 3-N-Boc-Amino-3- propionicacid, CID2734402, 479064-93-2, (R)-3-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acid, (S)-3-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-CHLOROPHENYL)PROPANOIC ACID, 479064-90-9,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number