AG003SFI

58561-04-9 | (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate

AG003SFI

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CAS Number	58561-04-9
Catalog Number	AG003SFI(AGN-PC-0OCR3Q)
Chemical Name	(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate
IUPAC Name	methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
InChI	InChI=1S/C11H21NO4/c1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)/t8-/m0/s1
InChI Key	XCJLIYKAMLUDGN-QMMMGPOBSA-N
MDL Number	MFCD00672510
Molecular Formula	C11H21NO4
Molecular Weight	231.2887
SMILES	C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)C(C)C
Synonyms	58561-04-9, Boc-Val-OMe, (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate, Boc-L-valine methyl ester, N-(tert-Butoxycarbonyl)-L-valine methyl ester, N-Boc-L-valine Methyl Ester, (S)-methyl 2-(tert-butoxycarbonylamino)-3-methylbutanoate, L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester, Boc-Val-OMe;, Boc-L-valine methylester, BOC VALINE METHYLESTER, SCHEMBL1505521, CTK6I6424, KS-00000KNF, DTXSID60452647, XCJLIYKAMLUDGN-QMMMGPOBSA-N, ZINC2567663, 8683AB, MFCD00672510, AKOS008227297, AM82376, CS-W008593, EBD2224548, N-t-butoxycarbonyl-L-valine methyl ester, AJ-41442, DS-15180, SC-09991, N-(tert-Butoxycarbonyl)valine methyl ester, AB0109007, TC-165954, FT-0688468, ST24036308, N-(tert-Butoxycarbonyl)-(L)-valine methyl ester, N-(tert-butyloxycarbonyl)-L-valine methyl ester, N-(tert.-butyloxycarbonyl)-L-valine methyl ester, 561B049, J-300296, N-(tert-Butoxycarbonyl)-L-valine methyl ester, 98%, (S)-METHYL 2-(TERT-BUTOXYCARBONYL AMINO)-3-METHYLBUTANOATE, methyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, C11H21NO4, Boc-L-Val-OMe, 97% - 5G 5g, CID11031717, Methyl 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, 59279-58-2,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	231.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.292g/mol
Monoisotopic Mass	231.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

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