AG003C9C

269726-94-5 | (R)-3-((tert-butoxycarbonyl)amino)hex-5-enoic acid

AG003C9C

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CAS Number	269726-94-5
Catalog Number	AG003C9C(AGN-PC-0O8GZK)
Chemical Name	(R)-3-((tert-butoxycarbonyl)amino)hex-5-enoic acid
IUPAC Name	(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
InChI	InChI=1S/C11H19NO4/c1-5-6-8(7-9(13)14)12-10(15)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m1/s1
InChI Key	RFHPQLCVYMBPRF-MRVPVSSYSA-N
MDL Number	MFCD01860990
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
SMILES	C=CC[C@@H](NC(OC(C)(C)C)=O)CC(O)=O
Synonyms	Boc-(R)-3-Amino-5-hexenoic acid, 269726-94-5, (R)-3-((tert-Butoxycarbonyl)amino)hex-5-enoic acid, (R)-3-(tert-butoxycarbonylamino)hex-5-enoic acid, (3R)-3-[(tert-butoxycarbonyl)amino]hex-5-enoic acid, Boc-D-?-Homogly(Allyl)-OH, Boc-D-beta-homoallylglycine, (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid, SCHEMBL7116478, CTK0J9686, DTXSID80426582, ZINC2385909, ANW-73956, CB-827, MFCD01860990, (R)-3-(Boc-amino)-5-hexenoic acid, FCH3575202, AC-22132, ACM269726945, AJ-35231, AK106271, BC675395, PS-12327, SC-92512, AB0048375, AX8019856, RT-011723, FT-0773686, (R)-3-(Boc-amino)-5-hexenoic acid, 98%, K-6913, (R)-3-(tert-Butoxycarbonylamino)-5-hexenoic acid, (3R)-3-(tert-butoxycarbonylamino)hex-5-enoic acid, 5-Hexenoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3R)-, 5-Hexenoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3R)-, (3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-hexenoic acid, CID7009851, (R)-3-((tert-Butoxycarbonyl)amino)hex-5-enoicacid, (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic Acid,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	229.131g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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