AG00A00S

1352882-80-4 | 2-Boc-2-azaspiro[5.5]undecane-9-carboxylic acid

AG00A00S

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CAS Number	1352882-80-4
Catalog Number	AG00A00S(AGN-PC-0BGIE7)
Chemical Name	2-Boc-2-azaspiro[5.5]undecane-9-carboxylic acid
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylic acid
InChI	InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-4-7-16(11-17)8-5-12(6-9-16)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChI Key	BNJCUGKGUFDPKL-UHFFFAOYSA-N
MDL Number	MFCD18839241
Molecular Formula	C16H27NO4
Molecular Weight	297.3899
SMILES	O=C(C(CC1)CCC21CCCN(C(OC(C)(C)C)=O)C2)O
Synonyms	1352882-80-4, 2-(tert-butoxycarbonyl)-2-azaspiro[5.5]undecane-9-carboxylic acid, 1251008-89-5, 2-AZASPIRO[5.5]UNDECANE-2,9-DICARBOXYLIC ACID 2-TERT-BUTYL ESTER, 2-[(tert-butoxy)carbonyl]-2-azaspiro[5.5]undecane-9-carboxylic acid, 2-Boc-2-azaspiro[5.5]undecane-9-carboxylic acid, 1638768-19-0, trans-2-boc-2-azaspiro[5.5]undecane-9-carboxylic acid, AK163642, cis-2-(tert-Butoxycarbonyl)-2-azaspiro[5.5]undecane-9-carboxylic acid, W-205212, 2-Azaspiro[5.5]undecane-2,9-dicarboxylicacid 2-tert-butyl ester, SCHEMBL18043861, DTXSID60718457, KS-000007JH, 3144AD, MFCD18839241, ZINC72194335, AKOS015950297, AKOS027323122, AKOS030238472, AKOS032953754, PB33443, RP07896, SB12257, SB20750, AS-34717, OR315590, R038, AX8219072, CS-0052099, FT-0686094, ST24039773, Q-4290, 4-Boc-4-azaspiro[5.5]undecane-9-carboxylic acid, J-508092, 4-(Boc)-4-Azaspiro[5.5]undecane-9-carboxylic acid, trans-2-boc-2-azaspiro[5.5]undecane-9-carboxylicacid, 2-(tert-Butoxycarbonyl);-2-azaspiro[5.5]undecane-9-carboxylic acid, 1251008-89-5 2-(tert-butoxycarbonyl)-2-azaspiro[5.5]undecane-9-carboxylic acid, 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[5.5]undecane-9-carboxylic acid, C16H27NO4,

Complexity	405
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.194g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	297.395g/mol
Monoisotopic Mass	297.194g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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