AG007181

214630-00-9 | Boc-(3R)-1,2,3,4-tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid

AG007181

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CAS Number	214630-00-9
Catalog Number	AG007181(AGN-PC-0QY0C2)
Chemical Name	Boc-(3R)-1,2,3,4-tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid
IUPAC Name	(3R)-7-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
InChI	InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-8-10-6-11(17)5-4-9(10)7-12(16)13(18)19/h4-6,12,17H,7-8H2,1-3H3,(H,18,19)/t12-/m1/s1
InChI Key	ZJYIVHWYSNWCSX-GFCCVEGCSA-N
MDL Number	MFCD00792389
Molecular Formula	C15H19NO5
Molecular Weight	293.3151
SMILES	O=C([C@@H]1N(C(OC(C)(C)C)=O)CC2=C(C=CC(O)=C2)C1)O
Synonyms	214630-00-9, (R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, BOC-7-HYDROXY-D-TIC-OH, Boc-D-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (R)-7-Hydroxy-2-Boc-3,4-dihydro-isoquinoline-3-carboxylic acid, (3r)-2-(tert-butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Boc-D-Tic(7-OH)-OH, ZJYIVHWYSNWCSX-GFCCVEGCSA-N, AK-80251, SCHEMBL6508024, CTK8C5114, KS-00000FSG, DTXSID90426775, (3R)-7-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, ZINC1642411, ANW-74167, MFCD00792389, CB-2964, CS-W006404, RTR-010079, VQ10449, n-t-butyloxycarbonyl-7-hydroxy-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, AC-22002, ACM214630009, AJ-28643, DS-15896, SC-99355, AX8117727, TR-010079, FT-0679840, ST24035269, Z5753, C-42183, J-014083, Boc-(3R)-1,2,3,4-tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid, (3R)-2-(tert-butoxycarbonyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid, (R)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydro-7-hydroxyisoquinoline-3-carboxylic acid, (3R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3beta-carboxylic acid, C15H19NO5, NSC667003, ACN-026320, CID7015829, (S)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 142335-42-0, (R)-2-(tert-Butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid, (R)-7-Hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid 2-tert-butyl ester,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	293.126g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	293.319g/mol
Monoisotopic Mass	293.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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