AG003TEG

5211-23-4 | S-1-Cbz-pyrrolidine-2-carboxylic acid methyl ester

AG003TEG

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CAS Number	5211-23-4
Catalog Number	AG003TEG(AGN-PC-0OBN43)
Chemical Name	S-1-Cbz-pyrrolidine-2-carboxylic acid methyl ester
IUPAC Name	1-O-benzyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
InChI	InChI=1S/C14H17NO4/c1-18-13(16)12-8-5-9-15(12)14(17)19-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
InChI Key	BLQYEDXWEDWCNJ-LBPRGKRZSA-N
MDL Number	MFCD00134246
Molecular Formula	C14H17NO4
Molecular Weight	263.2891
SMILES	O=C(N1[C@H](C(OC)=O)CCC1)OCC2=CC=CC=C2
Synonyms	5211-23-4, (S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate, N-Z-L-proline methyl ester, S-1-CBZ-Pyrrolidine-2-carboxylic acid Methyl Ester, N-CARBOBENZYLOXY-L-PROLINE METHYL ESTER, BLQYEDXWEDWCNJ-LBPRGKRZSA-N, N-Cbz-Pro-OMe, AC1LELHL, CBZ-L-proline, methyl ester, SCHEMBL4724457, CTK1G8289, KS-00000GRY, ZINC56802, DTXSID70350807, N-Z-L-proline methyl ester, 97%, MFCD00134246, AKOS015851014, AKOS015898050, N-benzyloxycarbonylproline methyl ester, DS-6654, benzyl-oxycarbonyl-l-proline methyl ester, AJ-09426, AN-25095, ZB001825, FT-0635578, N-(Benzyloxycarbonyl)-L-proline methyl ester, N-benzyloxycarbonyl-(S)-proline methyl ester, ST24026495, S-0187, I11-0176, (5)-1-benzyl 2-methyl pyrrolidine-1,2-dicarboxylate, N-(BENZYLOXYCARBONYL)-(S)-PROLINE METHYL ESTER, (S)-1-Benzyl 2-methyl pyrrolidine-1,2- dicarboxylate, 1-Benzyl 2-methyl (2S)-pyrrolidine-1,2-dicarboxylate, O1-benzyl O2-methyl (2S)-pyrrolidine-1,2-dicarboxylate, 1-O-benzyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate, (2S)-Pyrrolidine-1,2-dicarboxylic acid 1-benzyl 2-methyl ester, CID688168, ZINC00056801,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

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