AG000WNX

127095-92-5 | Cyclohexanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-

AG000WNX

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CAS Number	127095-92-5
Catalog Number	AG000WNX(AGN-PC-0PIGYI)
Chemical Name	Cyclohexanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
IUPAC Name	(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChI Key	MSZQAQJBXGTSHP-LLVKDONJSA-N
MDL Number	MFCD00133627
Molecular Formula	C14H25NO4
Molecular Weight	271.3526
SMILES	C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)CC1CCCCC1
Synonyms	127095-92-5, Boc-D-Cha-OH, (R)-2-((tert-Butoxycarbonyl)amino)-3-cyclohexylpropanoic acid, Boc-3-cyclohexyl-D-alanine, Boc-D-Cha-OH hydrate, Boc-beta-cyclohexyl-D-Ala-OH, MFCD00211334, J-300438, (R)-2-(tert-Butoxycarbonylamino)-3-cyclohexylpropanoic acid, (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-cyclohexylpropanoic acid, (2R)-2-((tert-butoxycarbonyl)amino)-3-cyclohexylpropanoic acid, (2R)-2-[(tert-butoxycarbonyl)amino]-3-cyclohexylpropanoic acid, AK-81823, Boc-D-Cha, AC1MBSEJ, AC1Q1MTZ, boc-D-cha-oh, AldrichCPR, SCHEMBL482062, N-Boc-beta-cyclohexyl-D-alanine, CTK8C5093, KS-00000KAY, DTXSID20373142, MSZQAQJBXGTSHP-LLVKDONJSA-N, ACT09062, ZINC2504643, ANW-74101, MFCD00133627, RW1237, RTR-003908, SB16149, n-tert-butoxycarbonyl-d-cyclohexylalanine, AJ-36011, BBV-44993959, Boc-beta-cyclohexyl-D-alanine monohydrate, DS-16432, SC-11094, AX8031689, DB-007299, TR-003908, FT-0080957, FT-0650999, ST24035235, (R)-N-Boc-2-amino-3-cyclohexylpropanoic acid, K-3949, n-(tert-butoxycarbonyl)-3-cyclohexyl-d-alanine, 095B925, (2R)-2-(Boc-amino)-3-(cyclohexyl)propionic acid, (R)-2-TERT-BUTOXYCARBONYLAMINO-3-CYCLOHEXYLPROPIONIC ACID, (2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, cyclohexanepropanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-, (ar)-, Cyclohexanepropanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaR)-, CYCLOHEXANEPROPANOICACID, A-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-,(AR)-, Boc-D-cyclohexylalanine, Boc-D-Cha-OH*H2O, ACN-034095, Boc-D-Cha-OH, 99% - 5G 5g, CID2755927, 3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	2
Isotope Atom Count	0
Molecular Weight	271.357g/mol
Monoisotopic Mass	271.178g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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