AG00295R

203866-13-1 | 1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) ester, (2S,4S)-

AG00295R

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CAS Number	203866-13-1
Catalog Number	AG00295R(AGN-PC-0QU1SG)
Chemical Name	1,2-Pyrrolidinedicarboxylic acid, 4-fluoro-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
IUPAC Name	(2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-5-6(11)4-7(12)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1
InChI Key	YGWZXQOYEBWUTH-BQBZGAKWSA-N
MDL Number	MFCD04973957
Molecular Formula	C10H16FNO4
Molecular Weight	233.2367
SMILES	O=C([C@H]1N(C(OC(C)(C)C)=O)C[C@@H](F)C1)O
Synonyms	203866-13-1, N-Boc-cis-4-fluoro-L-proline, (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid, (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoro-2-pyrrolidinecarboxylic Acid, (2S,4S)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid, N-tert-butoxycarbonyl-cis-4-fluoro-L-proline, MFCD04973957, BOC-CIS-4-FLUORO-PRO-OH, (2S,4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, (2S,4S)-1-Boc-4-fluoro-2-pyrrolidinecarboxylic Acid, C10H16FNO4, (2S,4S)-4-Fluoro-N-Boc-Pyrrolidine-2-carboxylic acid, (2S,4S)-1-BOC-4-FLUOROPYRROLIDINE-2-CARBOXYLIC ACID, (2S,4S)-BOC-4-FLUORO-PYRROLIDINE-2-CARBOXYLIC ACID, (2S,4S)-4-FLUORO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER, 1,2-Pyrrolidinedicarboxylicacid,4-fluoro-,1-(1,1-dimethylethyl)ester,(2S,4S)-, AC1MBSLY, PubChem21928, BOC-FLP-OH, boc-4-(s)-fluoroproline, cis-Boc-4-F-L-Pro-OH, DSSTox_CID_29098, DSSTox_RID_83317, DSSTox_GSID_49242, KSC497C1R, SCHEMBL192921, BOC-CIS-PRO(4-F)-OH, Jsp004166, CHEMBL3187987, DTXSID4049242, CTK3J7118, YGWZXQOYEBWUTH-BQBZGAKWSA-N, BOC-CIS-4-FLUORO-L-PROLINE, ZINC6882687, N-tert-Boc-cis-4-fluoro-L-proline, Tox21_202813, ANW-24054, CB0210, SBB065965, (2S,4S)-4-FLUORO-1-TERT-BUTOXYCARBONYL-PYRROLIDINE-2-CARBOXYLIC ACID, AKOS005063318, AKOS015892910, N-Boc-cis-4-fluoro-L-proline, 97%, CB-1196, CS-W003222, EF10182, PB14404, RP07270, RTC-068391, KS-0000079O, N-T-BOC-CIS-4-FLUORO-L-PROLINE, NCGC00260359-01, AJ-56999, AN-29986, BC220569, DS-16680, AB0023273, AB1010870, DB-001408, ST2407939, TC-068391, AM20090156, B3178, BB 0260227, CAS-203866-13-1, FT-0774062, FT-0774371, W4296, (4s)-n-tert-butoxycarbonyl-4-fluoro-l-proline, N-tert-Butoxycarbonyl-(2S,4S)-4-fluoroproline, Q-1630, (4S)-1-tert-Butoxycarbonyl-4-fluoro-L-proline, CIS-4-FLUORO-L-PROLINE, N-BOC PROTECTED, N-(tert-Butoxycarbonyl)-cis-4-fluoro-L-proline, (4S)-1-(tert-butoxycarbonyl)-4-fluoro-L-proline, 866B131, (4S)-1-(tert-butoxy carbonyl)-4-fluoro-L-proline, 3S110694, 3S210899, I04-0973, N-(T-BUTOXYCARBONYL)-CIS-4-FLUORO-L-PROLINE, Q-103492, (2S,4S)-N-Boc-4-fluoropyrrolidine-2-carboxylic acid, S,S-N-BOC-5-FLUOROPYRROLIDINE-2-CARBOXYLIC ACID, BOC-(2S,4S)-4-FLUORO-PYRROLIDINE-2-CARBOXYLIC ACID, N-BOC-(4S,2S)-4-FLUORO-2-PYRROLIDINECARBOXYLIC ACID, (2S,4S)-1-tert-butoxycarbonyl-4-fluoropyrrolidine-2-carboxylic acid, (2S,4S)-4-Fluoropyrrolidine-2-carboxylic acid, N-BOC protected, (4S)-1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-fluoro-L-proline, cis-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid, (2S,4S)-1-[(tert-butyl)oxycarbonyl]-4-fluoropyrrolidine-2-carboxylic acid, (2S,4S)-1-tert-butoxycarbonyl-4-fluoro-pyrrolidine-2-carboxylic acid, (2S,4S)-4-Fluoropyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (2S,4S)-1-Boc-4-fluoro-2-pyrrolidinecarboxylic acid; N-(tert-Butoxycarbonyl)-cis-4-fluoro-L-proline; N-Boc-cis-4-fluoro-L-proline, (2S,4S)-N-Boc-4-fluoroproline, ACN-045598, CID2756017, A4435, N-Boc-cis-4-fluoro-L-proline, 98% - 1G 1g, (2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid, 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid, 681128-51-8,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	233.106g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.239g/mol
Monoisotopic Mass	233.106g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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