AG000V70

130966-46-0 | 1,2-Pyrrolidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,3R)-

AG000V70

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CAS Number	130966-46-0
Catalog Number	AG000V70(AGN-PC-0PJDZU)
Chemical Name	1,2-Pyrrolidinedicarboxylic acid, 3-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,3R)-
IUPAC Name	1-O-tert-butyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
InChI	InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-5-7(13)8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m1/s1
InChI Key	SVSSZFBZFUSINI-SFYZADRCSA-N
MDL Number	MFCD13248611
Molecular Formula	C11H19NO5
Molecular Weight	245.2723
SMILES	C(=O)(OC)[C@H]1N(C(=O)OC(C)(C)C)CC[C@H]1O
Synonyms	130966-46-0, (2S,3R)-1-tert-Butyl 2-methyl 3-hydroxypyrrolidine-1,2-dicarboxylate, 1-tert-butyl 2-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate, Boc-cis-hydroxyproline methyl ester, (2S,3R)-1-(tert-BOC)-3-Hydroxypyrrolidine-2-carboxylic acid methyl ester, cis-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate, (2S,3R)-N-TERT-BUTOXYCARBONYL-3-HYDROXY-2-PYRROLIDINECARBOXYLIC ACID METHYL ESTER, 1449588-26-4, (2S,3R)-1-TERT-BUTYL-2-METHYL-3-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE, SVSSZFBZFUSINI-SFYZADRCSA-N, AK-78155, SCHEMBL200978, 1-O-tert-butyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate, MFCD13248611, ZINC34353228, AKOS015920189, ACN-045735, FCH3999274, PB26919, RP28692, KS-000007L6, AJ-88105, AS-43212, BR-25259, SC-27249, AB0047533, AX8017303, AX8222277, CS-0052392, (2s,3r)-3-hydroxy-N-boc-proline methyl ester, Q-3807, N-BOC-3(R)-hydroxy-(L)-proline, methyl ester, 1-(tert-Butyloxycarbonyl)-cis-3-hydroxy-L-proline methyl ester, (2S,3R)-1-(Boc)-3-Hydroxypyrrolidine-2-carboxylic acid methyl ester, (2S,3R);-1-tert-Butyl 2-methyl 3-hydroxypyrrolidine-1,2-dicarboxylate, 1-(tert-butyl) 2-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate, (2S,3R)-1-(tert-Butoxycarbonyl)-3-Hydroxypyrrolidine-2-carboxylic acid methyl ester, (2S,3R)-N-tert-Butyloxycarbonyl-3-hydroxy-2-pyrrolidinecarboxylic acid methyl ester, 1,2-PYRROLIDINEDICARBOXYLIC ACID, 3-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTER, (2S,3R)-, CID10988545, N-Boc-cis-4-hydroxy-L-proline methyl ester, 102195-79-9, Tert-butyl Methyl (2R,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate, 1,2-Pyrrolidinedicarboxylicacid, 3-hydroxy-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,3R)-,

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	1.1

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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