AG0056VT

83623-93-2 | (2S,4S)-4-Methoxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester

AG0056VT

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CAS Number	83623-93-2
Catalog Number	AG0056VT(AGN-PC-0UP0MB)
Chemical Name	(2S,4S)-4-Methoxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
IUPAC Name	(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(16-4)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
InChI Key	COHIMMPWCAHSFN-YUMQZZPRSA-N
MDL Number	MFCD11501217
Molecular Formula	C11H19NO5
Molecular Weight	245.2723
SMILES	O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@@H](OC)C1)O
Synonyms	83623-93-2, (2S,4S)-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid, CIS-1-N-BOC-4-METHOXY-L-PROLINE, (2S,4S)-4-Methoxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (2S,4S)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidine-2-carboxylic acid, cis-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid, PubChem23409, SCHEMBL239963, (2S,4S)-1-(tert-Butoxycarbonyl)-4-methoxy-pyrrolidine-2-carboxylic acid, CTK8B4882, DTXSID00570233, COHIMMPWCAHSFN-YUMQZZPRSA-N, KS-000006BI, ANW-46595, MFCD11501217, ZINC19434962, AKOS015998810, FCH1628142, AJ-73509, AK-86627, AS-52785, SC-13990, AB0026916, AX8226605, TX-015608, CS-0053415, ST24020290, W8672, X-2515, (4S)-1-(tert-Butoxycarbonyl)-4-methoxy-L-proline, (2S,4S)-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidi, 4-Methoxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (2S,4S);-1-(tert-Butoxycarbonyl);-4-methoxypyrrolidine-2-carboxylic acid, C11H19NO5, CB10377, -4-METHOXY-PYRROLIDINE-1,2-DICARBOXYLICACID1-TERT-BUTYLESTER, (2S,4S)-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylicacid,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	245.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.275g/mol
Monoisotopic Mass	245.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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