AG006M75

67630-01-7 | (S)-Ethyl 3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoate

AG006M75

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CAS Number	67630-01-7
Catalog Number	AG006M75(AGN-PC-0OG8YO)
Chemical Name	(S)-Ethyl 3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoate
IUPAC Name	ethyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI	InChI=1S/C16H24N2O4/c1-5-21-14(19)13(18-15(20)22-16(2,3)4)10-11-6-8-12(17)9-7-11/h6-9,13H,5,10,17H2,1-4H3,(H,18,20)/t13-/m0/s1
InChI Key	YGUWRFUPGXSHNX-ZDUSSCGKSA-N
MDL Number	MFCD18207036
Molecular Formula	C16H24N2O4
Molecular Weight	308.3728
SMILES	O=C(OCC)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(N)C=C1
Synonyms	67630-01-7, (S)-Ethyl 3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoate, (S)-ethyl 3-(4-aminophenyl)-2-(tert-butoxycarbonylamino)propanoate, ethyl-(S)-3-(4-aminophenyl)-2-(t-butoxycarbonylamino)propanoate, ethyl-(S)-3-[4-aminophenyl]-2-[t-butoxycarbonylamino]propanoate, AK-79786, SCHEMBL2982541, CTK8C2390, DTXSID20442887, YGUWRFUPGXSHNX-ZDUSSCGKSA-N, CS-M0208, 0412AC, ANW-68329, MFCD18207036, ZINC34235413, AJ-87567, DS-17746, AX8237614, TC-157074, N-BOC-4-amino-L-Phenylalanine, Ethyl Ester, ST24036287, Ethyl 4-amino-N-(tert-butoxycarbonyl)-L-phenylalaninate, (S)-Ethyl-2-tert-butyloxycarbonylamino-3-(4-aminophenyl)propionate, Ethyl (S)-3-(4-aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoate, ethyl (S)-3-(4-aminophenyl)-2-(N-t-butyloxycarbonylamino)propanoate, Ethyl (S)-3-(4-aminophenyl)-2-[N-(t-butyloxycarbonyl)amino]propanoate, Ethyl(S)-3-(4-aminophenyl)-2-[N-(t-butyloxycarbonyl)amino]propanoate, C16H24N2O4, CID10638537, (S)-ETHYL3-(4-AMINOPHENYL)-2-((TERT-BUTOXYCARBONYL)AMINO)PROPANOATE, Ethyl (2S)-3-(4-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,

Complexity	371
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	308.174g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	308.378g/mol
Monoisotopic Mass	308.174g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	90.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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