AG00DL6K

52574-06-8 | 1-methyl-5-oxo-L-Proline

AG00DL6K

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CAS Number	52574-06-8
Catalog Number	AG00DL6K(AGN-PC-0OBQHY)
Chemical Name	1-methyl-5-oxo-L-Proline
IUPAC Name	(2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid
InChI	InChI=1S/C6H9NO3/c1-7-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
InChI Key	SHLYZEAOVWVTSW-BYPYZUCNSA-N
MDL Number	MFCD19228297
Molecular Formula	C6H9NO3
Molecular Weight	143.1406
SMILES	O=C([C@H](CC1)N(C)C1=O)O
Synonyms	52574-06-8, (S)-1-Methyl-5-oxopyrrolidine-2-carboxylic acid, 1-Methyl-5-oxo-L-Proline, (2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid, 1-methyl-5-oxoproline, N-methyl-5-oxoproline, N-methylpyroglutamic acid, 1-Methylpyroglutamic acid, SCHEMBL647325, L-Proline, 1-methyl-5-oxo-, 1-METHYL-5-OXO-PROLINE, CTK1G2437, KS-00000SIQ, DTXSID00595365, SHLYZEAOVWVTSW-BYPYZUCNSA-N, 952345-00-5, MFCD19228297, ZINC38633324, AKOS006380138, DS-9685, NE62550, AJ-96791, CS-0030793, ST24035755, ACN-046703, (R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	143.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.142g/mol
Monoisotopic Mass	143.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^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

Certificate of Analysis

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