AG002FR7

192214-00-9 | 1,3-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (3S)-

AG002FR7

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CAS Number	192214-00-9
Catalog Number	AG002FR7(AGN-PC-0O68W4)
Chemical Name	1,3-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, (3S)-
IUPAC Name	(3S)-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-/m0/s1
InChI Key	JSASVUTVTRNJHA-NSHDSACASA-N
MDL Number	MFCD09608053
Molecular Formula	C13H15NO4
Molecular Weight	249.2625
SMILES	O=C([C@@H]1CN(C(OCC2=CC=CC=C2)=O)CC1)O
Synonyms	192214-00-9, (S)-1-Cbz-pyrrolidine-3-carboxylic acid, (S)-1-((Benzyloxy)carbonyl)pyrrolidine-3-carboxylic acid, (S)-1-N-Cbz-Pyrrolidine-3-carboxylic acid, S-1-CBZ-Pyrrolidine-3-carboxylic acid, (S)-1-(benzyloxycarbonyl)pyrrolidine-3-carboxylic acid, (S)-1-Cbz-pyrrolidine-3-carboxylicacid, (s)-1-cbz-3-pyrrolidinecarboxylic acid, AK-33904, 1,3-PYRROLIDINEDICARBOXYLIC ACID, 1-(PHENYLMETHYL) ESTER, (3S)-, (S)-1-Cbz-?-proline, SCHEMBL12070966, CTK4E0942, KS-00000LNI, DTXSID10578523, ZINC2577462, ANW-61715, CC-041, MFCD09608053, WT1245, AKOS015855924, AKOS015898283, CS-W008576, FCH2823636, PB20364, QC-9909, RTC-065617, AC-28278, AJ-42654, AN-30245, BC688303, DS-12603, AB0000054, AX8048479, DB-065769, ST2414525, TC-065617, A4236, AM20130029, FT-0652945, W4120, B-2176, C67150, 214C009, I11-0161, (3S)-1-benzyloxycarbonylpyrrolidine-3-carboxylic acid, Pyrrolidine-1,3beta-dicarboxylic acid 1-benzyl ester, (3S)-1-[(Benzyloxy)carbonyl]pyrrolidine-3-carboxylic acid, (3S)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid, (S)-PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-BENZYL ESTER, 1,3-Pyrrolidinedicarboxylicacid, 1-(phenylmethyl) ester, (3S)-, 188527-21-1 (S)-1-(benzyloxycarbonyl)pyrrolidine-3-carboxylic acid, C13H15NO4, JSASVUTVTRNJHA-NSHDSACASA-N, 1-[(benzyloxy)carbonyl]pyrrolidine-3-carboxylic acid, 188527-21-1,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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