AG00FHYK

681128-51-8 | (2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid

AG00FHYK

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CAS Number	681128-51-8
Catalog Number	AG00FHYK(AGN-PC-0TR927)
Chemical Name	(2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid
IUPAC Name	(2R,4R)-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-/m1/s1
InChI Key	YGWZXQOYEBWUTH-RNFRBKRXSA-N
MDL Number	MFCD02684479
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	681128-51-8, (2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid, (2R,4R)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid, (2R,4R)-1-Boc-4-fluoropyrrolidine-2-carboxylic acid, AK151973, SCHEMBL2489604, KS-000004FK, ZINC2541438, MFCD02684479, AKOS024258735, FCH4126951, SB11553, KS-0000079P, AJ-39172, AS-52788, CS-0053468, FT-0653125, YGWZXQOYEBWUTH-RNFRBKRXSA-N, CID9877997, (2S,4R)-1-(tert-butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid, 203866-14-2, 4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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