AG00ALZB

170228-81-6 | 3-(tert-Butoxycarbonyl)-3-azaspiro[5.5]undecane-9-carboxylic acid

AG00ALZB

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CAS Number	170228-81-6
Catalog Number	AG00ALZB(AGN-PC-0Q9MRY)
Chemical Name	3-(tert-Butoxycarbonyl)-3-azaspiro[5.5]undecane-9-carboxylic acid
IUPAC Name	3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azaspiro[5.5]undecane-9-carboxylic acid
InChI	InChI=1S/C16H27NO4/c1-15(2,3)21-14(20)17-10-8-16(9-11-17)6-4-12(5-7-16)13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChI Key	ZDWMIWSOZZMELY-UHFFFAOYSA-N
MDL Number	MFCD11042915
Molecular Formula	C16H27NO4
Molecular Weight	297.3899
SMILES	O=C(C(CC1)CCC21CCN(C(OC(C)(C)C)=O)CC2)O
Synonyms	170228-81-6, 3-(tert-butoxycarbonyl)-3-azaspiro[5.5]undecane-9-carboxylic acid, 3-AZASPIRO[5.5]UNDECANE-3,9-DICARBOXYLIC ACID 3-(TERT-BUTYL) ESTER, 3-BOC--3-AZASPIRO[5.5]UNDECANE-9-CARBOXYLIC ACID, 3-[(tert-butoxy)carbonyl]-3-azaspiro[5.5]undecane-9-carboxylic acid, W-206002, 3-Aza-spiro[5.5]undecane-3,9-dicarboxylic acid 3-tert-butyl ester, 3-Azaspiro[5.5]undecane-3,9-dicarboxylicacid 3-(tert-butyl) ester, SCHEMBL484799, DTXSID40570292, ZDWMIWSOZZMELY-UHFFFAOYSA-N, KS-000007JG, 5485AD, MFCD11042915, ZINC34501216, AKOS015950450, PB22451, RP07897, AJ-88970, AK130149, AS-35695, OR315591, AB0073668, AX8240860, 4CH-024932, CS-0051575, FT-0685988, ST24041671, Q-3699, 3-BOC-3-AZASPIRO[5.5]UNDECANE-9-CARBOXYLIC ACID, 9-tert-Butoxycarbonyl-9-azaspiro[5.5]undecane-3-carboxylic acid, 170228-81-6 3-Azaspiro[5.5]undecane-3,9-dicarboxylic acid 3-tert-butyl ester, 3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azaspiro[5.5]undecane-9-carboxylic acid, C16H27NO4, R212, 3-(tert-Butoxycarbonyl)-3-azaspiro[5.5]undecane-9-carboxylicacid,

Complexity	395
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	2.8

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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