AG002GY6

188527-21-1 | 1,3-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester

AG002GY6

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CAS Number	188527-21-1
Catalog Number	AG002GY6(AGN-PC-01XN0V)
Chemical Name	1,3-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester
IUPAC Name	1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
InChI	InChI=1S/C13H15NO4/c15-12(16)11-6-7-14(8-11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)
InChI Key	JSASVUTVTRNJHA-UHFFFAOYSA-N
MDL Number	MFCD02179036
Molecular Formula	C13H15NO4
Molecular Weight	249.2625
SMILES	OC(=O)C1CCN(C1)C(=O)OCC1=CC=CC=C1
Synonyms	188527-21-1, 1-N-Cbz-pyrrolidine-3-carboxylic acid, 1-((benzyloxy)carbonyl)pyrrolidine-3-carboxylic acid, n-cbz-pyrrolidine-3-carboxylic acid, 1-(benzyloxycarbonyl)pyrrolidine-3-carboxylic acid, 1-[(benzyloxy)carbonyl]pyrrolidine-3-carboxylic acid, 1-n-cbz-beta-proline, 1-N-Cbz-belta-Proline, 1-Cbz-pyrrolidine-3-carboxylic acid, 1-Cbz-3-pyrrolidinecarboxylic acid, pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester, 3-carboxy-1-cbz-pyrrolidine, C67154, MFCD02179036, (R)-N-CBZ-3-PYRROLIDINECARBOXYLIC ACID, (s)-1-cbz-3-pyrrolidinecarboxylic acid, 1-Cbz-pyrrolidine-3-carboxylicacid, AK-33904, AK-33905, 1-N-Cbz-?-proline, PubChem14205, 3-carboxy-1-phenylmethyloxycarbonylpyrrolidine, n-cbz-3-carboxy pyrrolidine, SCHEMBL103560, CTK4D9813, JSASVUTVTRNJHA-UHFFFAOYSA-N, ACT05013, BCP22670, ANW-52096, RW1022, AKOS012305591, BCP9000054, CS-W002897, PB30728, QC-9030, RP06093, RTR-008725, SB10259, TRA0077875, (R)-1-Cbz-pyrrolidine-3-carboxylicacid, AK-33871, AN-30416, BC215472, BR-33871, DS-12581, SC-87865, SY016106, SY020720, SY023067, AB0023074, DB-031528, ST2415444, TR-008725, 4CH-001944, 4CH-013346, 4CH-021610, A4238, FT-0630200, N-carbobenzyloxypyrrolidine-3-carboxylic acid, W4063, KS-00000352, MFCD08692037 (95%), MFCD09608053 (95%), A-3294, pyrrolidine-1,3-dicarboxylic acid benzyl ester, 1-benzyloxycarbonylpyrrolidine-3-carboxylic acid, MFCD02179036 (95+%), 214C065, 1-N-cbz-pyrrolidine-3-carboxylic acid, AldrichCPR, Q-102897, W-206376, 1-[(benzyloxy)carbonyl]-3-pyrrolidinecarboxylic acid, I14-39131, (R)-1-(benzyloxycarbonyl)pyrrolidine-3-carboxylic acid, 1,3-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester, Z1741969512, cc-699, (R)-1-Cbz-pyrrolidine-3-carboxylic acid, (S)-(+)-p-Toluenesulfinamide, C13H15NO4, 1-N-Cbz-pyrrolidine-3-acetic acid, (S)-1-Cbz-pyrrolidine-3-carboxylic acid, 192214-06-5, (S)-1-((Benzyloxy)carbonyl)pyrrolidine-3-carboxylic acid, 192214-00-9, A4164, (S)-1-(benzyloxycarbonyl)pyrrolidine-3-carboxylic acid, 1,3-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, 348640-52-8, 848413-99-0,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.266g/mol
Monoisotopic Mass	249.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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