AG00C6ZK

429673-83-6 | (3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine

AG00C6ZK

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CAS Number	429673-83-6
Catalog Number	AG00C6ZK(AGN-PC-0RR6WM)
Chemical Name	(3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine
IUPAC Name	tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate
InChI	InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(14(19)11-18)17-9-12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t13-,14-/m1/s1
InChI Key	GVYATPKTSSTHKN-ZIAGYGMSSA-N
MDL Number	MFCD11109733
Molecular Formula	C16H24N2O3
Molecular Weight	292.3734
SMILES	O=C(N1C[C@@H](NCC2=CC=CC=C2)[C@H](O)C1)OC(C)(C)C
Synonyms	429673-83-6, tert-butyl (3R,4R)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate, (3R,4R)-N-Boc-3-(benzylamino)-4-hydroxypyrrolidine, 138026-89-8, trans-3-Benzylamino-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester, tert-butyl trans-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate, trans-3-Benzylamino-1-Boc-4-hydroxypyrrolidine, (3R,4R)-tert-Butyl 3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate, SCHEMBL707352, tert-butyl (3R,4R)-rel-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate, CTK4I6840, DTXSID40649295, GVYATPKTSSTHKN-ZIAGYGMSSA-N, ALBB-007817, 3240AE, MFCD09608005, MFCD11109733, STK504823, ZINC26897332, AKOS005171666, AKOS015839225, SB21915, KS-0000088R, AJ-83111, AS-50618, OR307682, TR-059969, CS-0048572, FT-0773077, T6383, B67300, 608B005, F6545-3995, (3R,4R)-3-benzylamino-1-tert-butoxycarbonyl-4-hydroxypyrrolidine, 3beta-Hydroxy-4alpha-(benzylamino)pyrrolidine-1-carboxylic acid tert-butyl ester, rac-trans-3-benzylamino-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester, (3R,4R)-3-Hydroxy-4-[(phenylmethyl)amino]-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester, C16H24N2O3, -N-Boc-3- -4-hydroxypyrrolidine, (3R,4R)-rel-tert-Butyl 3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylicacid, 3-hydroxy-4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester, (3R,4R)-, 167298-29-5,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	292.179g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	292.379g/mol
Monoisotopic Mass	292.179g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

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