AG00375N

487048-28-2 | (2S,4S)-1-tert-Butyl 2-methyl 4-cyanopyrrolidine-1,2-dicarboxylate

AG00375N

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CAS Number	487048-28-2
Catalog Number	AG00375N(AGN-PC-0S0IMK)
Chemical Name	(2S,4S)-1-tert-Butyl 2-methyl 4-cyanopyrrolidine-1,2-dicarboxylate
EC Number	688-361-6
IUPAC Name	1-O-tert-butyl 2-O-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
InChI	InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-7-8(6-13)5-9(14)10(15)17-4/h8-9H,5,7H2,1-4H3/t8-,9+/m1/s1
InChI Key	GHLKJIQVORAVHE-BDAKNGLRSA-N
MDL Number	MFCD03787928
Molecular Formula	C12H18N2O4
Molecular Weight	254.2823
SMILES	O=C(N1[C@H](C(OC)=O)C[C@H](C#N)C1)OC(C)(C)C
Synonyms	487048-28-2, N-Boc-cis-4-cyano-L-proline methyl ester, (2S,4S)-1-tert-butyl 2-methyl 4-cyanopyrrolidine-1,2-dicarboxylate, Boc-cis-4-cyano-L-proline methyl ester, MFCD03787928, 1-tert-butyl 2-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate, 1,2-Pyrrolidinedicarboxylicacid, 4-cyano-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-, SCHEMBL203240, 1-O-tert-butyl 2-O-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate, CTK4J0945, DTXSID40590516, GHLKJIQVORAVHE-BDAKNGLRSA-N, ZX-RL002087, 4208AE, ZINC35018145, AKOS015850933, AKOS015907655, AM86115, CB-2572, RTR-017728, 1,2-Pyrrolidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-, AC-28746, AK173331, OR305322, TR-017728, A26546, B-1604, I14-28923, (2S,4S)-1-(tert-butoxycarbonyl)-4-cyano-2-methylpyrrolidine-2-carboxylic acid, (2S,4S)-4-Cyano-1,2-pyrrolidinedicarboxylic acid 1-(tert-butyl) 2-methyl ester, 1,2-Pyrrolidinedicarboxylicacid,4-cyano-,1-(1,1-dimethylethyl)2-methyl ester,(2S,4S)-, C12H18N2O4, Velpatasvir Intermediate-I S,S-Isomer, CS-O-16220, F-1012, N-BOC-CIS-4-CYANO-L-PROLINEMETHYLESTER, cis-N-Boc-4-cyano-L-proline methyl ester, 97% 250mg, (2S,4S)-1-Boc-4-azidopyrrolidine-2-carboxylic acid methylester,

Complexity	391
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	254.127g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.286g/mol
Monoisotopic Mass	254.127g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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