AG001MPA

150543-61-6 | 5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-1-carboxylic acid

AG001MPA

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CAS Number	150543-61-6
Catalog Number	AG001MPA(AGN-PC-0WBRGV)
Chemical Name	5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-1-carboxylic acid
IUPAC Name	5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-2-carboxylic acid
InChI	InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-5-4-12(7-13)6-8(12)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChI Key	QXRGGYBREHVBNA-UHFFFAOYSA-N
MDL Number	MFCD12198550
Molecular Formula	C12H19NO4
Molecular Weight	241.2836
SMILES	O=C(C1CC12CN(C(OC(C)(C)C)=O)CC2)O
Synonyms	150543-61-6, 5-(TERT-BUTOXYCARBONYL)-5-AZASPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID, 5-[(tert-Butoxy)carbonyl]-5-azaspiro[2.4]heptane-1-carboxylic acid, 5-BOC-5-AZASPIRO[2.4]HEPTANE-1-CARBOXYLIC ACID, SCHEMBL9566391, KS-000006JP, MFCD12198550, AKOS022179347, MCULE-4500327121, PB34708, AK-51682, AM805652, BS-14088, AB0197848, CS-0036512, Q-2284, Z1753013070, 5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-1-carboxylicacid, 5-(tert-Butoxycarbonyl);-5-azaspiro[2.4]heptane-1-carboxylic acid, 5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-2-carboxylic acid,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.131g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	241.287g/mol
Monoisotopic Mass	241.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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