AG001R8D

159622-10-3 | Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-

AG001R8D

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CAS Number	159622-10-3
Catalog Number	AG001R8D(AGN-PC-0Q7PX2)
Chemical Name	Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-
IUPAC Name	(1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
InChI	InChI=1S/C11H17NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,12,15)(H,13,14)/t7-,11-/m1/s1
InChI Key	RFAQWADNTLIWMG-RDDDGLTNSA-N
MDL Number	MFCD11042412
Molecular Formula	C11H17NO4
Molecular Weight	227.2570
SMILES	O=C([C@]1(NC(OC(C)(C)C)=O)[C@H](C=C)C1)O
Synonyms	159622-10-3, (1R,2S)-1-tert-Butoxycarbonylamino-2-vinylcyclopropanecarboxylic acid, (1R,2S)-1-(TERT-BUTOXYCARBONYLAMINO)-2-VINYLCYCLOPROPANECARBOXYLIC ACID, Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-, (1R,2S)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropanecarboxylic acid, (1R,2S)-1-{[(tert-Butoxy)carbonyl]amino}-2-ethenylcyclopropane-1-carboxylic acid, 213316-50-8, (1R,2S)-1-[(tert-butoxycarbonyl)amino]-2-vinylcyclopropanecarboxylic acid, (1R,2S)-1-[(tert-butoxycarbonyl)amino]-2-ethenylcyclopropanecarboxylic acid, RFAQWADNTLIWMG-RDDDGLTNSA-N, AK173327, lopropanecarboxylic acid, PubChem18693, (1R,2S)-1-(Boc-amino)-2-vinylcyclopropanecarboxylic acid, Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-rel-, SCHEMBL312680, CTK0H3751, DTXSID60438941, CS-B0185, CS-D0620, ZX-RL001813, 2837AH, MFCD11042412, ZINC38530109, AKOS015893032, AKOS015994878, CB-3573, CM11062, DS-8248, FCH4086215, LS30081, RP27704, OR305053, AB0047869, DB-009089, TR-006758, B5322, C3420, L-1341, (1R,2S)-1-tert-Butoxycarbonylamino-2-vinylcyc, 221B777, I04-1352, J-500308, N-Boc-(1R,2S)-1-amino-2-vinylcyclopropane carboxylic acid, (R)-tert-butoxycarbonylamino-2(S)-vinyl-cyclopropanecarboxylic acid, 1(R)-tert-butoxycarbonylamino-2(S)-vinyl-cyclopropanecarboxylic acid, 1(R)-tert-butoxycarbonylamino-2(S)-vinylcyclopropanecarboxylic acid, (1R,2S)-1-(tert-butoxycarbonylamino)-2-vinyl-cyclopropanecarboxylic acid, (1R,2S)-1-tert-Butoxycarbonylamino-2-vinyl-cyclopropane-carboxylic acid, (1R,2S)-1-tert-Butoxycarbonylamino-2-vinyl-cyclopropanecarboxylic acid, (1R,2S)-1-((tert-butoxycarbonyl)amino)-2-vinylcyclopropane-1-carboxylic acid, (1R,2S)-1-(tert-Butoxycarbonylamino)-2-vinyl-cyclopropane-1-carboxylic acid, (1R,2S)-1-[(tert-Butoxycarbonyl)amino]-2-ethenylcyclopropane-1-carboxylic acid, (1R,2S)-Rel-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-cyclopropanecarboxylic acid, Cyclopropanecarboxylic acid,1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-,(1R,2S)-, Cyclopropanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-, C11H17NO4, ACN-051431, CB11402, CID10376443, (1R,2S)-1-(Boc-Amino)-2-ethenyl-cyclopropanecarboxylic acid, Cyclopropanecarboxylicacid,1-[[ carbonyl]amino]-2-ethenyl-, -rel-, (1S,2R)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic Acid, 1R,2S)-1-[(tert-Butoxycarbonyl)amino]-2-ethenylcyclopropanecarboxylic acid, 98% - 1G 1g, 259221-77-7,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	227.116g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	227.26g/mol
Monoisotopic Mass	227.116g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

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