AG003E08

5733-86-8 | 1-benzyl-5-oxopyrrolidine-3-carboxylic acid

AG003E08

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CAS Number	5733-86-8
Catalog Number	AG003E08(AGN-PC-0JM3DD)
Chemical Name	1-benzyl-5-oxopyrrolidine-3-carboxylic acid
IUPAC Name	1-benzyl-5-oxopyrrolidine-3-carboxylic acid
InChI	InChI=1S/C12H13NO3/c14-11-6-10(12(15)16)8-13(11)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)
InChI Key	VYKQDWPBYULGPF-UHFFFAOYSA-N
MDL Number	MFCD00085749
Molecular Formula	C12H13NO3
Molecular Weight	219.2365
NSC Number	165809
SMILES	O=C(C(C1)CN(CC2=CC=CC=C2)C1=O)O
Synonyms	5733-86-8, 1-benzyl-5-oxopyrrolidine-3-carboxylic acid, 1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid, 1-benzyl-5-oxo-3-pyrrolidinecarboxylic acid, Web 2124, 5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid, NSC 165809, BRN 0189394, 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-, 1-Benzyl-5-oxopyrrolidine-3-carboxylicacid, 5-oxo-1-benzylpyrrolidine-3-carboxylic acid, PubChem23181, Enamine_004282, AC1L40LI, AC1Q74PB, AC1Q74PC, Oprea1_439103, Oprea1_753113, MLS000062741, 1-BENZYL-5-OXO-PYRROLIDINE-3-CARBOXYLICACID, 3-Pyrrolidinecarboxylic acid, 1-benzyl-5-oxo- (8CI), SCHEMBL1902358, CHEMBL1412498, CTK1H0474, 1-N-Benzyl-DL-pyroglutamic acid, VYKQDWPBYULGPF-UHFFFAOYSA-N, HMS1406C14, HMS2352M12, ALBB-000123, WEB-2124, 1-Benzyl-4-carboxy-2-pyrrolidinone, ANW-55998, BBL016442, HTS001043, MFCD00085749, N-benzylpyrrolidin-2-one-4carboxylic, NSC165809, SBB011410, STK069586, AKOS000198992, AKOS016040524, AC-7411, ACN-039403, AN-9033, AS-5480, CB-3202, CCG-202939, MCULE-6209894945, NSC-165809, PB15647, TRA0092013, KS-000006N5, NCGC00058674-02, BAS 03107233, BC651338, SMR000071278, SY006092, AB0001808, DB-011835, LS-137479, ST4128772, TC-071912, B4264, BB 0217891, CS-0052598, EU-0099947, FT-0676659, n-benzyl-pyrrolidin-2-one-4-carboxylic acid, ST24037795, V6708, 1-benzyl-5-oxo-3-pyrrolidine-carboxylic acid, EN300-04425, 3-Pyrrolidinecarboxylic acid, 1-benzyl-5-oxo-, B67528, C-8205, (1-benzyl-2-oxo-4-pyrrolidinyl)carboxylic acid, MFCD00085749 (97+%), 733B868, 5-oxo1-(phenylmethyl)-3-pyrrolidinecarboxylic acid, I14-8924, 3-Pyrrolidinecarboxylicacid, 5-oxo-1-(phenylmethyl)-, F1799-0573, A4066/0173257, C12H13NO3, CID99024, C12-H13-N-O3, (R)-1-Benzyl-5-oxopyrrolidine-3-carboxylic acid, 5-22-06-00043 (Beilstein Handbook Reference), 1217736-39-4,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.24g/mol
Monoisotopic Mass	219.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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