AG00035X

1009075-48-2 | 1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3R,4S)-

AG00035X

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CAS Number	1009075-48-2
Catalog Number	AG00035X(AGN-PC-0OQ5I9)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3R,4S)-
IUPAC Name	tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate
InChI	InChI=1S/C9H17FN2O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,11H2,1-3H3/t6-,7+/m0/s1
InChI Key	DXQXHFOCKKIWJL-NKWVEPMBSA-N
MDL Number	MFCD18071735
Molecular Formula	C9H17FN2O2
Molecular Weight	204.2419
SMILES	N[C@@H]1CN(C[C@@H]1F)C(=O)OC(C)(C)C
Synonyms	1009075-48-2, tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate, CIS-1-BOC-3-AMINO-4-FLUOROPYRROLIDINE, 1174020-30-4, tert-butyl cis-3-amino-4-fluoropyrrolidine-1-carboxylate, 1431720-86-3, tert-Butyl (3R,4S)-3-amino-4-fluoro-pyrrolidine-1-carboxylate, (3R,4S)-1-Boc-3-amino-4-fluoropyrrolidine, (3R,4S)-TERT-BUTYL 3-AMINO-4-FLUOROPYRROLIDINE-1-CARBOXYLATE, cis-tert-butyl 3-amino-4-fluoropyrrolidine-1-carboxylate, tert-butyl (3S,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate, SCHEMBL15107832, 1-Pyrrolidinecarboxylic acid, 3-amino-4-fluoro-, 1,1-dimethylethyl ester, (3S,4S)-, DXQXHFOCKKIWJL-NKWVEPMBSA-N, MFCD18071735, ZINC48501694, AKOS015949239, PB28724, RP09456, SB12251, SB12252, KS-000004N4, AM803010, PC430187, SC-54017, AJ-110957, ST1030173, CS-0048564, FT-0684937, C-8397, J-524361, (3S,4R)-TERT-BUTYL 3-AMINO-4-FLUOROPYRROLIDINE-1-C, cis-rac-tert-butyl 3-amino-4-fluoropyrrolidine-1-carboxylate, tert-butyl(3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate, tert-butyl (3,4)-cis-3-Amino-4-fluoropyrrolidine-1-carboxylate racemate, tert-Butyl (3,4)-cis-3-amino-4-fluoropyrrolidine-1-carboxylateracemate, 117402-03-6, (3R,4S)-3-Amino-4-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester, 1009075-43-7,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	204.127g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.245g/mol
Monoisotopic Mass	204.127g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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