AG0039H3

120205-50-7 | (2R,3R)-3-((S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid

AG0039H3

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CAS Number	120205-50-7
Catalog Number	AG0039H3(AGN-PC-0PEE4O)
Chemical Name	(2R,3R)-3-((S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid
IUPAC Name	(2R,3R)-3-methoxy-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
InChI	InChI=1S/C14H25NO5/c1-9(12(16)17)11(19-5)10-7-6-8-15(10)13(18)20-14(2,3)4/h9-11H,6-8H2,1-5H3,(H,16,17)/t9-,10+,11-/m1/s1
InChI Key	LNEHHTWYEBGHBY-OUAUKWLOSA-N
MDL Number	MFCD18157735
Molecular Formula	C14H25NO5
Molecular Weight	287.3520
SMILES	C(C)(C)(C)OC(=O)N1[C@@H](CCC1)[C@@H]([C@H](C(=O)O)C)OC
Synonyms	120205-50-7, (2R,3R)-3-((S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid, N-Boc-dolaproine, BOC-DAP, ((2R,3R)-3-((S)-1-(tertbutoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid, (2R,3R)-3-((S)-1-(tertbutoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoic acid, (2R,3R)-BOC-dolaproine, Dolproline, AK126815, SCHEMBL903564, DTXSID60452743, LNEHHTWYEBGHBY-OUAUKWLOSA-N, CS-B0750, MFCD18157735, ZINC34360853, AKOS016012593, AKOS016016040, DS-5307, RL00796, AJ-88131, BP-20231, OR323233, AX8247924, ST24033980, X5899, J-500005, (2R,3R)-3-((S)-1-(t-butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanic acid, (2R,3R)-3-[(2S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid, N-Boc-dolaproline, C14H25NO5, CID11033491, CID 11033491, C-0002, (2R,3R)-3-((S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoicacid,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	287.173g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	287.356g/mol
Monoisotopic Mass	287.173g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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