AG0039U2

706806-60-2 | Boc-(R)-alpha-benzyl-proline

AG0039U2

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CAS Number	706806-60-2
Catalog Number	AG0039U2(AGN-PC-0TYFGQ)
Chemical Name	Boc-(R)-alpha-benzyl-proline
IUPAC Name	(2R)-2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C17H23NO4/c1-16(2,3)22-15(21)18-11-7-10-17(18,14(19)20)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,19,20)/t17-/m1/s1
InChI Key	JUUNPRGYFCIXSM-QGZVFWFLSA-N
MDL Number	MFCD06795522
Molecular Formula	C17H23NO4
Molecular Weight	305.3688
SMILES	O=C([C@@]1(CC2=CC=CC=C2)N(C(OC(C)(C)C)=O)CCC1)O
Synonyms	706806-60-2, (R)-2-Benzyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid, Boc-(R)-alpha-benzyl-proline, MFCD06795522, AK115371, (R)-2-Benzyl-1-Boc-2-pyrrolidinecarboxylic acid, (R)-2-benzyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester, (2R)-2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, AC1MC5TW, Boc-|A-benzyl L-proline, 2-Benzyl-N-Boc-L-proline, SCHEMBL194209, Boc-(R)-|A-benzyl-Pro-OH, Boc-(R)-alpha-benzyl-Pro-OH, KS-00000FSA, DTXSID70375939, JUUNPRGYFCIXSM-QGZVFWFLSA-N, ZINC388726, KM1367, AKOS015948915, DS-4092, PL003-1, 2-benzyl-1-(tert-butoxycarbonyl)proline, AJ-20751, Boc - (R) - alpha - benzyl - proline, AX8117566, DB-074336, FT-0771131, (2R)-2-benzyl-1-tert-butoxycarbonyl-proline, (R)-2-Benzyl-1-Boc-pyrrolidine-2-carboxylic acid, (2R)-1-(tert-Butoxycarbonyl)-2-benzyl-2-pyrrolidinecarboxylic acid, (2R)-2-benzyl-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid, (2R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(phenylmethyl)-2-pyrrolidinecarboxylic acid, (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethyl)pyrrolidine-2-carboxylic acid, 1,2-pyrrolidinedicarboxylic acid, 2-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, Boc-(S)-alpha-benzyl-proline, CID2761823, (R)-2-Benzyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacid, 2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid,

Complexity	423
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	305.163g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	305.374g/mol
Monoisotopic Mass	305.163g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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