AG001DYT

146398-18-7 | Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3R)-

AG001DYT

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CAS Number	146398-18-7
Catalog Number	AG001DYT(AGN-PC-0O3AMF)
Chemical Name	Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3R)-
IUPAC Name	(3R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI	InChI=1S/C12H23NO4/c1-8(2)6-9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChI Key	XRVAMBSTOWHUMM-SECBINFHSA-N
MDL Number	MFCD01076256
Molecular Formula	C12H23NO4
Molecular Weight	245.3153
SMILES	CC(C)C[C@@H](NC(OC(C)(C)C)=O)CC(O)=O
Synonyms	146398-18-7, (R)-3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid, Boc-D-beta-homoleucine, (R)-3-tert-Butoxycarbonylamino-5-methyl-hexanoic acid, MFCD01076256, (3R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid, Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (R)-, AK110487, AC1ODVLD, (r)-boc-b2-homoleucine, SCHEMBL56753, TMBA016, CTK6A4224, DTXSID90427388, ZINC2572713, DS-4624, FCH3589552, AJ-42075, SC-50360, AX8225282, DB-016732, CS-0036805, ST24035415, (R)-3-(tert-butoxycarbonylamino)-5-methylhexanoic, d-3-tert-butoxycarbonylamino-5-methyl-hexanoic acid, (R)-3-(tert-butoxycarbonylamino)-5-methylhexanoic acid, (3R)-3-(tert-butoxycarbonylamino)-5-methyl-hexanoic acid, (3R)-3-{[(tert-butoxy)carbonyl]amino}-5-methylhexanoic acid, (R)-3-TERT-BUTOXYCARBONYLAMINO-5-METHYL-HEXANOICACID, (3R)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;, (3R)-5-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid, Hexanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-methyl-, (3R)-, Boc-beta-Homoleu-OH, C12H23NO4, XRVAMBSTOWHUMM-SECBINFHSA-N, ACN-026131, CB10782, CID7021552, 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic Acid, 132549-43-0,

Complexity	268
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	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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