AG0038SO

334769-80-1 | (2S,5S)-N-Boc-5-Methylpyrrolidine-2-Carboxylic Acid

AG0038SO

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CAS Number	334769-80-1
Catalog Number	AG0038SO(AGN-PC-0R8YYE)
Chemical Name	(2S,5S)-N-Boc-5-Methylpyrrolidine-2-Carboxylic Acid
IUPAC Name	(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C11H19NO4/c1-7-5-6-8(9(13)14)12(7)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
InChI Key	BSAYEGDCKUEPNE-YUMQZZPRSA-N
MDL Number	MFCD13185989
Molecular Formula	C11H19NO4
Molecular Weight	229.2729
SMILES	C(=O)(OC(C)(C)C)N1[C@@H](CC[C@@H]1C)C(=O)O
Synonyms	334769-80-1, (2S,5S)-1-(TERT-BUTOXYCARBONYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID, (2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylic acid, A1-01614, MFCD13185989, 296775-05-8, AK-90293, (5s)-1-(tert-butoxycarbonyl)-5-methyl-l-proline, SCHEMBL192488, CTK4H0640, KS-00000LEW, DTXSID00573547, BSAYEGDCKUEPNE-YUMQZZPRSA-N, CS-D0422, ZX-CM008898, ANW-71388, ZINC40546661, AKOS016007301, FCH3996727, DS-16834, AJ-103427, AX8044812, TC-160133, FT-0773595, 1-(tert-Butyloxycarbonyl)-5alpha-methyl-L-proline, 769B801, (2S,5S)-Boc-5-methylpyrrolidine-2-carboxylic acid, (2S,55)-1-(tert-butoxycarbonyl)-5-methylpyrrolidine-2-carboxylic acid, (2S,5S)-1-(tert-Butoxycarbonyl)-5-methylpyrrolidine-2-carboxylicacid, (2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, 1,2-Pyrrolidinedicarboxylicacid, 5-methyl-, 1-(1,1-dimethylethyl) ester, (2S,5S)-, ACN-045647, (2S,5S)-N-Boc-5-methylpyrrolidine-2-carboxylicacid, cis-5-Methyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (2R,5R)-1-(tert-butoxycarbonyl)-5-methylpyrrolidine-2-carboxylic acid, 1657030-28-8,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	1
Isotope Atom Count	0
Molecular Weight	229.276g/mol
Monoisotopic Mass	229.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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