AG007T0A

109523-13-9 | Boc-(2s,3as,7as)-octahydro-1H-indole-2-carboxylic acid

AG007T0A

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CAS Number	109523-13-9
Catalog Number	AG007T0A(AGN-PC-0OZLBM)
Chemical Name	Boc-(2s,3as,7as)-octahydro-1H-indole-2-carboxylic acid
IUPAC Name	(2S,3aS,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
InChI	InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)8-11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t9-,10-,11-/m0/s1
InChI Key	POJYGQHOQQDGQZ-DCAQKATOSA-N
MDL Number	MFCD09750486
Molecular Formula	C14H23NO4
Molecular Weight	269.3367
SMILES	O=C([C@H]1N(C(OC(C)(C)C)=O)[C@@]2([H])CCCC[C@@]2([H])C1)O
Synonyms	109523-13-9, (2S,3aS,7aS)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid, BOC-OIC-OH, Boc-(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid, (2S,3aS,7aS)-1-[(tert-butoxy)carbonyl]-octahydro-1H-indole-2-carboxylic acid, Boc-Oic-OH;(2S,3aS,7aS)-1-Boc-octahydro-1H-indole-2-carboxylic acid, (2S,3aS,7aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid, POJYGQHOQQDGQZ-DCAQKATOSA-N, AC1MBSJV, Boc-L-Octahydro-1H-indole-2-carboxylic acid, SCHEMBL1336739, CTK8B6934, DTXSID60373181, ZINC4899627, ANW-54903, CB-570, AKOS015836489, AKOS015893209, boc-l-octahydroindole-2-carboxylicacid, RTR-002060, SB17980, AJ-52574, AK-90260, AS-47660, AX8017490, ST24034079, Z-2431, I04-3751, (2S,3aS,7aS)-N-BOC-octahydroindole-2-carboxylic acid, boc-(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylicacid, (2S,3aS,7aS)-1-(tert-butoxycarbonyl)-octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-Octahydro-indole-1,2-dicarboxylic acid 1-tert-butyl ester, (2S,3aS,7aS)octahydroindole-1,2-dicarboxylic acid 1-tert-butyl ester, (2S,3aS,7aS)-1-(tert-butoxycarbonyl) octahydro-1H-indole-2-carboxylic acid, (2S,3aS,7aS)-1-tert-butoxycarbonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid, Boc-L-Octahydroindole-2-carboxylic acid, CID2755991, (2S,3aS,7aS)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylicacid, 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic Acid,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	269.163g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.341g/mol
Monoisotopic Mass	269.163g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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