AG00BXUN

401564-36-1 | (2S)-4-Oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester

AG00BXUN

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CAS Number	401564-36-1
Catalog Number	AG00BXUN(AGN-PC-0RM48N)
Chemical Name	(2S)-4-Oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC Name	tert-butyl (2S)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C13H20N2O4S/c1-13(2,3)19-12(18)15-7-9(16)6-10(15)11(17)14-4-5-20-8-14/h10H,4-8H2,1-3H3/t10-/m0/s1
InChI Key	ULXKZRPRLJGLDM-JTQLQIEISA-N
MDL Number	MFCD22665915
Molecular Formula	C13H20N2O4S
Molecular Weight	300.3739
SMILES	O=C(N1[C@H](C(N2CSCC2)=O)CC(C1)=O)OC(C)(C)C
Synonyms	401564-36-1, (S)-tert-Butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate, (2S)-4-Oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 4-oxo-2-(3-thiazolidinylcarbonyl)-, 1,1-dimethylethyl ester, (2S)-, ULXKZRPRLJGLDM-JTQLQIEISA-N, AK163795, (S)-1-Boc-5-(thiazolidine-3-carbonyl)pyrrolidin-3-one, SCHEMBL1335681, tert-butyl (2S)-4-oxo-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate, CS-M1874, KS-00000SP4, 2989AH, AKOS024464793, ZINC115890614, DS-8331, AC-28917, SC-99182, AX8294915, ST24036467, (2S)-4-Oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidi, tert-butyl (S)-4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate, (2S)-4-Oxo-2-(thiazolidine-3-carbonyl)-pyrrolidine-1-carboxylic Acid Tert-butyl Ester, (2S)-4-Oxo-2-(thiazolidine-3-ylcarbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester, 3-((s)-1-tert-butoxycarbonyl-4-oxo-2-pyrrolidinylcarbonyl)-1,3-thiazolidine, 3-[(2S)-1-(1,1-dimethylethyloxycarbonyl)-4-oxopyrrolidin-2-ylcarbonyl]thiazolidine, 1-Pyrrolidinecarboxylic acid,4-oxo-2-(3-thiazolidinylcarbonyl)-,1,1-diMethylethyl ester,(2S)-, C13H20N2O4S, ACN-037778,

Complexity	433
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	300.114g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	300.373g/mol
Monoisotopic Mass	300.114g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	92.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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