AG002FR4

192214-06-5 | 1,3-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (3R)-

AG002FR4

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CAS Number	192214-06-5
Catalog Number	AG002FR4(AGN-PC-0O68WI)
Chemical Name	1,3-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (3R)-
IUPAC Name	(3R)-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)/t11-/m1/s1
InChI Key	JSASVUTVTRNJHA-LLVKDONJSA-N
MDL Number	MFCD08692037
Molecular Formula	C13H15NO4
Molecular Weight	249.2625
SMILES	O=C([C@H]1CN(C(OCC2=CC=CC=C2)=O)CC1)O
Synonyms	192214-06-5, (R)-1-Cbz-pyrrolidine-3-carboxylic acid, (R)-1-N-Cbz-Pyrrolidine-3-carboxylic acid, (R)-1-((benzyloxy)carbonyl)pyrrolidine-3-carboxylic acid, C67151, (3R)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid, (R)-N-CBZ-3-PYRROLIDINECARBOXYLIC ACID, JSASVUTVTRNJHA-LLVKDONJSA-N, AK-33905, SCHEMBL2330005, CTK4E0944, KS-00000LZK, DTXSID80649658, CS-D0753, ANW-59854, MFCD08692037, ZINC12649290, AKOS015856043, (R)-N-Cbz-3-pyrrolidinecarboxylicAcid, CC-1042, FCH2820474, PB14610, RTC-065613, (r)-1-cbz-3-pyrrolidinecarboxylic acid, AC-28279, AJ-62848, AN-30246, DS-12604, SC-01648, (r )-1-cbz-pyrrolidine-3-carboxylic acid, AB0075608, AX8054309, DB-065770, TC-065613, FT-0654828, J1258, ST24035184, Q-1803, I11-0165, (3R)-1-benzyloxycarbonylpyrrolidine-3-carboxylic acid, (R)-1-Benzyloxycarbonyl-pyrrolidine-3-carboxylic acid, (3R)-1-[(Benzyloxy)carbonyl]pyrrolidine-3-carboxylic acid, 1,3-Pyrrolidinedicarboxylicacid,1-(phenylmethyl)easter,(R), (3R)-1-(Benzyloxycarbonyl)pyrrolidine-3alpha-carboxylic acid, (r)-1,3-pyrrolidinedicarboxylic acid, 1-(phenylmethyl)easter, (R)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-BENZYL ESTER, 1,3-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester, (3R)-, 1,3-PYRROLIDINEDICARBOXYLIC ACID, 1-(PHENYLMETHYL)EASTER, (R), ?1-Cbz-?-proline, R-1-CBZ-Pyrrolidine-3-carboxylic acid, (R)-1-Cbz-pyrrolidine-3-carboxylicacid, 1,3-PYRROLIDINEDICARBOXYLIC ACID, 1-(PHENYLMETHYL) ESTER, (3R)-,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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