AG001CT0

1408074-81-6 | 2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester

AG001CT0

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CAS Number	1408074-81-6
Catalog Number	AG001CT0(AGN-PC-0WBRL0)
Chemical Name	2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester
IUPAC Name	2-O-tert-butyl 6-O-methyl 2-azaspiro[3.3]heptane-2,6-dicarboxylate
InChI	InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-7-13(8-14)5-9(6-13)10(15)17-4/h9H,5-8H2,1-4H3
InChI Key	FZDJDEXABKVIDA-UHFFFAOYSA-N
MDL Number	MFCD23106118
Molecular Formula	C13H21NO4
Molecular Weight	255.3101
SMILES	O=C(N1CC2(CC(C(OC)=O)C2)C1)OC(C)(C)C
Synonyms	1408074-81-6, 2-tert-butyl 6-methyl 2-azaspiro[3.3]heptane-2,6-dicarboxylate, Methyl 2-Boc-2-aza-spiro[3.3]heptane-6-carboxylate, SCHEMBL18299761, MFCD23106118, ZINC95743351, AKOS025291183, PB38252, SB20896, KS-000007N1, AK171575, AS-34748, CS-0051796, Q-4824, Methyl 2-Boc-2-azaspiro[3.3]heptane-6-carboxylate, O6-tert-Butyl O2-methyl 6-azaspiro[3.3]heptane-2,6-dicarboxylate, 2-O-tert-butyl 6-O-methyl 2-azaspiro[3.3]heptane-2,6-dicarboxylate, 2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(1,1-dimethylethyl) 6-methyl ester,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.147g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.314g/mol
Monoisotopic Mass	255.147g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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