AG000SIV

1263078-10-9 | (R)-1-Cbz-beta-proline ethyl ester

AG000SIV

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CAS Number	1263078-10-9
Catalog Number	AG000SIV(AGN-PC-0WACZM)
Chemical Name	(R)-1-Cbz-beta-proline ethyl ester
IUPAC Name	1-O-benzyl 3-O-ethyl (3R)-pyrrolidine-1,3-dicarboxylate
InChI	InChI=1S/C15H19NO4/c1-2-19-14(17)13-8-9-16(10-13)15(18)20-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3/t13-/m1/s1
InChI Key	PXTGBVCFUXOCMF-CYBMUJFWSA-N
MDL Number	MFCD11053571
Molecular Formula	C15H19NO4
Molecular Weight	277.3157
SMILES	O(CC1C=CC=CC=1)C(N1CC[C@@H](C(=O)OCC)C1)=O
Synonyms	1263078-10-9, (R)-1-Benzyl 3-ethyl pyrrolidine-1,3-dicarboxylate, (R)-1-Cbz-beta-Proline ethyl ester, Ethyl (R)-N-Cbz-3-pyrrolidinecarboxylate, Ethyl(R)-N-Cbz-3-pyrrolidinecarboxylate, KS-00000AHG, 6625AJ, MFCD11053571, ZINC16697420, AKOS022183226, FCH2836055, AJ-69337, AS-37178, AX8268732, TC-308131, Z-4139, (R)-Pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester, 1,3-Pyrrolidinedicarboxylic acid, 3-ethyl 1-(phenylmethyl) ester, (3R)-, C15H19NO4, 26177-43-5,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	277.131g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	277.32g/mol
Monoisotopic Mass	277.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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