AG002P3R

247068-82-2 | CarbaMic acid, N-[(1S)-3-Methyl-1-[[(2R)-2-Methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-diMethylethyl ester

AG002P3R

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CAS Number	247068-82-2
Catalog Number	AG002P3R(AGN-PC-0WAL5L)
Chemical Name	CarbaMic acid, N-[(1S)-3-Methyl-1-[[(2R)-2-Methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-diMethylethyl ester
IUPAC Name	tert-butyl N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate
InChI	InChI=1S/C14H25NO4/c1-9(2)7-10(11(16)14(6)8-18-14)15-12(17)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,17)/t10-,14+/m0/s1
InChI Key	DDMPMIMTLBGEHT-IINYFYTJSA-N
MDL Number	MFCD22573306
Molecular Formula	C14H25NO4
Molecular Weight	271.3526
SMILES	O=C(OC(C)(C)C)N[C@@H](CC(C)C)C([C@]1(C)OC1)=O
Synonyms	247068-82-2, tert-butyl ((S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)carbamate, CarbaMic acid, N-[(1S)-3-Methyl-1-[[(2R)-2-Methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-diMethylethyl ester, tert-butyl N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate, ((1S)-3-methyl-1-(((2R)-2-methyloxiranyl)carbonyl)butyl)carbamic acid 1,1-dimethylethyl ester, Boc-L-leucine epoxyketone, [(1S)-3-Methyl-1-[[(2R)-2-methyloxiranyl]carbonyl]butyl]carbamic acid 1,1-dimethylethyl ester, AK171914, SCHEMBL13884641, CS-M2423, MFCD22573306, ZINC95093028, AKOS025291333, DS-7665, tert-butyl (S)-4-methyl-1-((R)-2-methyloxiran-2-yl)-1-oxopentan-2-ylcarbamate, AC-28806, QC-10018, FT-0696773, (2S)-2-(Boc-amino)-4-Methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentane, [(S)-1-[[(R)-2-Methyloxiranyl]carbonyl]-3-methylbutyl]carbamic acid tert-butyl ester, DDMPMIMTLBGEHT-IINYFYTJSA-N,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	271.178g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	271.357g/mol
Monoisotopic Mass	271.178g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	67.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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