AG003EG5

299920-47-1 | 1-Isopropyl-5-oxopyrrolidine-3-carboxylic acid

AG003EG5

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CAS Number	299920-47-1
Catalog Number	AG003EG5(AGN-PC-0KPVM1)
Chemical Name	1-Isopropyl-5-oxopyrrolidine-3-carboxylic acid
IUPAC Name	5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
InChI	InChI=1S/C8H13NO3/c1-5(2)9-4-6(8(11)12)3-7(9)10/h5-6H,3-4H2,1-2H3,(H,11,12)
InChI Key	YKWIPHFVESIOGN-UHFFFAOYSA-N
MDL Number	MFCD02110460
Molecular Formula	C8H13NO3
Molecular Weight	171.1937
SMILES	O=C(C(C1)CN(C(C)C)C1=O)O
Synonyms	299920-47-1, 1-isopropyl-5-oxopyrrolidine-3-carboxylic acid, 1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid, 1-Isopropyl-2-oxopyrrolidine-4-carboxylic Acid, 1-isopropyl-5-oxo-3-pyrrolidinecarboxylic acid, 5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid, 1-(methylethyl)-5-oxopyrrolidine-3-carboxylic acid, 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid, 3-Pyrrolidinecarboxylic acid, 1-(1-methylethyl)-5-oxo-, BAS 04900443, ChemDiv2_002218, 1-isopropyl-5-oxopyrrolidine-3-carboxylicacid, AC1MK65O, AC1Q1Q2M, MLS000124070, SCHEMBL2164818, CHEMBL1410467, CTK1A0736, KS-00000AHE, DTXSID40389947, HMS1375E18, HMS2473E14, ALBB-008679, BBL008653, HTS015263, MFCD02110460, SBB007426, STK026126, AKOS000139933, AKOS016040511, MCULE-5532294919, RTC-064227, TRA0101121, AS-31709, SMR000124615, ST050454, SY012397, AB0053236, TR-041536, A5545, BB 0219704, EU-0052483, FT-0691117, ST24038059, 1-Isopropyl-2-oxopyrrolidine-4-carboxylicAcid, EN300-33398, K-7231, MFCD02110460 (97+%), AS-871/40439622, SR-01000529552, I11-0296, SR-01000529552-1, Z57324871, 3-Pyrrolidinecarboxylicacid, 1-(1-methylethyl)-5-oxo-, A2251/0094828, 1-isopropyl-5-oxo-pyrrolidine-3-carboxylic acid, AldrichCPR, C8H13NO3, CID3151004, 1-Isopropyl-5-oxo-pyrrolidine-3-carboxylicacid, 3-Pyrrolidinecarboxylic acid, 1-(1-methylethyl)-5-oxo- (9CI),

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.196g/mol
Monoisotopic Mass	171.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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