AG000EVT

114636-37-2 | 1-Pyrrolidinecarboxylic acid, 3-(acetylamino)-, 1,1-dimethylethyl ester, (3S)-

AG000EVT

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CAS Number	114636-37-2
Catalog Number	AG000EVT(AGN-PC-0P6JF7)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3-(acetylamino)-, 1,1-dimethylethyl ester, (3S)-
IUPAC Name	tert-butyl (3S)-3-acetamidopyrrolidine-1-carboxylate
InChI	InChI=1S/C11H20N2O3/c1-8(14)12-9-5-6-13(7-9)10(15)16-11(2,3)4/h9H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
InChI Key	SLFZPSKIMUPQSR-VIFPVBQESA-N
MDL Number	MFCD08704350
Molecular Formula	C11H20N2O3
Molecular Weight	228.2881
SMILES	O=C(N1C[C@@H](NC(C)=O)CC1)OC(C)(C)C
Synonyms	114636-37-2, (S)-tert-Butyl 3-acetamidopyrrolidine-1-carboxylate, (S)-(-)-1-Boc-3-acetamidopyrrolidine, tert-butyl (3s)-3-acetamidopyrrolidine-1-carboxylate, SCHEMBL6874691, CTK4A8822, DTXSID60554837, 1-Pyrrolidinecarboxylicacid, 3-(acetylamino)-, 1,1-dimethylethyl ester, (3S)-, SLFZPSKIMUPQSR-VIFPVBQESA-N, (S)-N-Boc-3-acetamidopyrrolidine, MFCD08704350, ZINC34213165, AKOS015912329, DS-7772, AJ-87462, AK144149, SC-52481, DB-060621, RT-024015, ST2402903, CS-0048547, FT-0773551, Z2166, (S)-(-)-1-Boc-3-acetamidopyrrolidine 97%, KS-00000865, (S)-(-)-1-Boc-3-acetamidopyrrolidine, 97%, J-003116, tert-Butyl (S)-3-acetamidopyrrolidine-1-carboxylate, I14-36753, tert-Butyl (3S)-3-(acetylamino)-1-pyrrolidinecarboxylate, tert-Butyl (3S)-3-(acetylamino)pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 3-(acetylamino)-, 1,1-dimethylethyl ester, (3S)-, C11H20N2O3,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	228.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.292g/mol
Monoisotopic Mass	228.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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