AG00BCM5

284493-66-9 | 3-tert-Butoxycarbonylamino-3-(2-chloro-phenyl)-propionic acid

AG00BCM5

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CAS Number	284493-66-9
Catalog Number	AG00BCM5(AGN-PC-0KKOPD)
Chemical Name	3-tert-Butoxycarbonylamino-3-(2-chloro-phenyl)-propionic acid
IUPAC Name	3-(2-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)9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)
InChI Key	JBKHFGREKMCWAU-UHFFFAOYSA-N
MDL Number	MFCD02090709
Molecular Formula	C14H18ClNO4
Molecular Weight	299.7500
SMILES	CC(C)(C)OC(=O)NC(CC(O)=O)C1=C(Cl)C=CC=C1
Synonyms	284493-66-9, 3-Boc-amino-3-(2'-chlorophenyl)propionic acid, 3-tert-Butoxycarbonylamino-3-(2-chloro-phenyl)-propionic acid, 3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid, 3-[(tert-butoxycarbonyl)amino]-3-(2-chlorophenyl)propanoic acid, 3-tert-butoxycarbonylamino-3-(2-chlorophenyl)propionic acid, 3-Boc-amino-3-(2'-chlorophenyl)propionicacid, 3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, Q-102249, DL-N-Boc-beta-(2-Chlorophenyl)alanine, Boc-R-3-Amino-3-(2-chloro-phenyl)-propionic acid, AC1MW9L4, AC1Q1N85, SCHEMBL1147244, CTK1A0668, KS-00001ZTM, DTXSID80395845, (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, ANW-74470, CB-317, MFCD02090709, AKOS005101255, RTC-061030, BBV-38259649, DL-N-Boc-Beta-(2-Chlorophenyl)-alanine, AB0075524, AX8037624, DB-031722, TC-061030, 4CH-024609, A5398, FT-0679889, X-1887, 3-n-boc-amino-3-(2-chlorophenyl)propionic acid, 7R-0655, boc-dl-3-amino-3-(2-chloro-phenyl)-propionic acid, 3-(tert-butoxycarbonyl)-3-(2-chlorophenyl)propanoic acid, 3-tert-Butoxycarbonylamino-3-(2-chlorophenyl)propanoic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-(2-chlorophenyl)propanoic acid, (3S)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, CID3745697, Boc-3-amino-3-(2-chlorophenyl)propionic acid, boc-3-amino-3-(2-chlorophenyl)-propionic acid, (S)-3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid, 500770-73-0, 500789-05-9, (R)-3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid, 3-tert-Butoxycarbonylamino-3-(2-chlorophenyl)propionicacid,

Complexity	354
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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