AG00BCKX

221352-49-4 | (2S,5R)-BOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID

AG00BCKX

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CAS Number	221352-49-4
Catalog Number	AG00BCKX(AGN-PC-0QYS43)
Chemical Name	(2S,5R)-BOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID
IUPAC Name	(2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid
InChI	InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-12(9-10-13(17)14(18)19)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13+/m1/s1
InChI Key	ADTXMICUZGOWDF-OLZOCXBDSA-N
MDL Number	MFCD01321008
Molecular Formula	C16H21NO4
Molecular Weight	291.3422
SMILES	O=C([C@H]1N(C(OC(C)(C)C)=O)[C@@H](C2=CC=CC=C2)CC1)O
Synonyms	221352-49-4, (2S,5R)-1-(tert-butoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid, Boc-(2S,5R)-5-phenyl-pyrrolidine-2-carboxylic acid, Boc-(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid, N-Boc-5-(R)-phenyl-(S)-proline, (2S,5R)-BOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID, (2S,5R)-5-Phenyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid, AC1MBSIA, SCHEMBL859599, Boc-(2S,5R)-5-phenyl-pyrrolidine-2-carboxylicacid, CTK4E8735, DTXSID50373170, ADTXMICUZGOWDF-OLZOCXBDSA-N, racemic N-Boc-cis-5-phenylproline, Boc-5-(R)-phenyl-(2S)-proline, ZINC2379488, ANW-45537, MFCD01321008, N-Boc-5-(R)-phenyl-(2S)-proline, AKOS015836498, CB-3257, RTR-010430, AJ-34596, AN-29613, AS-43252, AB0023501, AX8163757, DB-012372, TR-010430, A4760, ST24026188, W4572, K-6273, (5R)-1-(tert-Butoxycarbonyl)-5-phenyl-L-proline, 352B494, S11-0051, (2S,5R)-N-butoxycarbonyl-5-phenyl-pyrrolidine-2-carboxylic acid, (2S,5R)-(tert-butyloxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid, (2S,5R)-1-tert-butoxycarbonyl-5-phenyl-pyrrolidine-2-carboxylic acid, 1,2-Pyrrolidinedicarboxylicacid, 5-phenyl-, 1-(1,1-dimethylethyl) ester, (2S,5R)-, C16H21NO4, CID2755972, -BOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLICACID, (2R,5S)-1-(tert-Butoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid, (2S,5R)-1-(tert-Butoxycarbonyl)-5-phenylpyrrolidine-2-carboxylicacid, Boc-(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid, 99.6% - 1G 1g, 1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-pyrrolidine-2-carboxylic Acid, 158706-46-8,

Complexity	396
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	291.147g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	291.347g/mol
Monoisotopic Mass	291.147g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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