AG002HEV

188847-00-9 | 1,3-Pyrrolidinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester

AG002HEV

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CAS Number	188847-00-9
Catalog Number	AG002HEV(AGN-PC-007917)
Chemical Name	1,3-Pyrrolidinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
IUPAC Name	1-O-benzyl 3-O-methyl pyrrolidine-1,3-dicarboxylate
InChI	InChI=1S/C14H17NO4/c1-18-13(16)12-7-8-15(9-12)14(17)19-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key	JZDIVDBVWXFEMR-UHFFFAOYSA-N
MDL Number	MFCD18432047
Molecular Formula	C14H17NO4
Molecular Weight	263.2891
SMILES	COC(=O)C1CCN(C1)C(=O)OCC1=CC=CC=C1
Synonyms	1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate, 188847-00-9, METHYL 1-CBZ-3-PYRROLIDINECARBOXYLATE, Pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester, 1,3-Pyrrolidinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester, 1-CBZ-3-PYRROLIDINE CARBOXYLIC ACID METHYL ESTER, SCHEMBL631512, CTK6J0826, DTXSID70463087, JZDIVDBVWXFEMR-UHFFFAOYSA-N, ANW-63397, MFCD06410557, RW1024, AKOS016003710, PB10351, RL02393, AS-43209, BC223331, SY015534, AB0048043, DB-012035, TC-152142, 4CH-005014, CS-0052617, FT-0735155, benzyl 3-carbomethoxypyrrolidine-1-carboxylate, KS-00000355, MFCD06410557 (95%), 1-benzyl-3-methylpyrrolidine-1,3-dicarboxylate, METHYL 1-CBZ-PYRROLIDINE-3-CARBOXYLATE, Q-1117, J-504242, 1-O-benzyl 3-O-methyl pyrrolidine-1,3-dicarboxylate, 1-O-benzyl 3-O-methyl (3R)-pyrrolidine-1,3-dicarboxylate, 1-O-benzyl 3-O-methyl (3S)-pyrrolidine-1,3-dicarboxylate, 1-(Benzyloxycarbonyl)pyrrolidine-3-carboxylic acid methyl ester, N-CARBOBENZYLOXYPYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER, CID11346067, Benzyl Methyl Pyrrolidine-1,3-dicarboxylate, (R)-1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate, (S)-1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate, 1217655-90-7, 313706-14-8, 848413-99-0,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.116g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.293g/mol
Monoisotopic Mass	263.116g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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