AG00I9XY

55747-84-7 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl ester

AG00I9XY

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CAS Number	55747-84-7
Catalog Number	AG00I9XY(AGN-PC-0OC9D1)
Chemical Name	L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl ester
IUPAC Name	dimethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
InChI	InChI=1S/C11H19NO6/c1-11(2,3)18-10(15)12-7(9(14)17-5)6-8(13)16-4/h7H,6H2,1-5H3,(H,12,15)/t7-/m0/s1
InChI Key	DFXUYFITVOWQNH-ZETCQYMHSA-N
MDL Number	MFCD04116316
Molecular Formula	C11H19NO6
Molecular Weight	261.2717
SMILES	COC(=O)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C
Synonyms	55747-84-7, (S)-DIMETHYL 2-(TERT-BUTOXYCARBONYLAMINO)SUCCINATE, (S)-dimethyl 2-((tert-butoxycarbonyl)amino)succinate, (-)-Dimethyl (2S)-2-[(tert-butoxycarbonyl)amino]butanedioate, L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl ester, SCHEMBL7298384, CTK1F6181, KS-00000TGS, DTXSID20451393, DFXUYFITVOWQNH-ZETCQYMHSA-N, ZINC2528581, MFCD04116316, DS-10403, SC-29405, dimethyl N-(tert-butoxycarbonyl)-L-aspartate, X3743, N-(tert-Butoxycarbonyl)-L-aspartic acid dimethyl ester, Boc-Asp(Ome)-Ome, C11H19NO6, CID10999824, Dimethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	261.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.274g/mol
Monoisotopic Mass	261.121g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	90.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

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