AG003OF6

706806-61-3 | Boc-(S)-alpha-benzyl-proline

AG003OF6

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CAS Number	706806-61-3
Catalog Number	AG003OF6(AGN-PC-0TYFHB)
Chemical Name	Boc-(S)-alpha-benzyl-proline
IUPAC Name	(2S)-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-/m0/s1
InChI Key	JUUNPRGYFCIXSM-KRWDZBQOSA-N
MDL Number	MFCD06659153
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	706806-61-3, (S)-2-Benzyl-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid, Boc-(S)-alpha-benzyl-proline, MFCD06659153, (S)-2-Benzyl-1-Boc-2-pyrrolidinecarboxylic acid, (S)-2-Benzyl-1-Boc-pyrrolidine-2-carboxylic acid, (2S)-2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid, Boc-(S)-a-benzylproline, AC1OCTBH, Boc-|A-benzyl-D-proline, 2-Benzyl-N-Boc-D-proline, Boc-(S)-|A-benzyl-Pro-OH, Boc-(S)-alpha-benzyl-Pro-OH, DTXSID70426192, ZINC388725, AJ-20750, AX8117645, DB-074337, 2-Benzyl-1-(tert-butoxycarbonyl)-D-proline, Boc-(S)-alpha-benzyl-Pro-OH, >=97.0%, FT-0772407, (2S)-2-benzyl-1-tert-butoxycarbonyl-proline, A-8830, (2S)-1-(tert-Butoxycarbonyl)-2-benzyl-2-pyrrolidinecarboxylic acid, (2S)-2-benzyl-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(phenylmethyl)-2-pyrrolidinecarboxylic acid, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethyl)pyrrolidine-2-carboxylic acid, Boc-(R)-alpha-benzyl-proline, BOC- -ALPHA-BENZYL-PROLINE, CID6950294, (S)-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
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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