AG00C95T

35264-04-1 | N-Boc-3-ethyl l-norvaline

AG00C95T

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CAS Number	35264-04-1
Catalog Number	AG00C95T(AGN-PC-0RAP1E)
Chemical Name	N-Boc-3-ethyl l-norvaline
IUPAC Name	(2S)-3-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI	InChI=1S/C12H23NO4/c1-6-8(7-2)9(10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChI Key	IWFUADFCRJVRNH-VIFPVBQESA-N
MDL Number	MFCD07369172
Molecular Formula	C12H23NO4
Molecular Weight	245.3153
SMILES	CCC(CC)[C@H](NC(OC(C)(C)C)=O)C(O)=O
Synonyms	35264-04-1, N-Boc-3-ethyl L-Norvaline, (S)-Boc-2-amino-3-ethyl-pentanoic acid, (S)-2-((tert-Butoxycarbonyl)amino)-3-ethylpentanoic acid, SCHEMBL7273189, IWFUADFCRJVRNH-VIFPVBQESA-N, 7528AH, MFCD07369172, ZINC22052771, AKOS027384369, A-8363, N-[(1,1-Dimethylethoxy)carbonyl]-3-ethyl-L-norvaline, L-Norvaline, N-[(1,1-dimethylethoxy)carbonyl]-3-ethyl-, Boc-Di-n-ethylglycine, C12H23NO4,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	245.163g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.319g/mol
Monoisotopic Mass	245.163g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
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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