AG001D3H

1454843-78-7 | 5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, (6R)-

AG001D3H

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CAS Number	1454843-78-7
Catalog Number	AG001D3H(AGN-PC-0WNGTS)
Chemical Name	5-Azaspiro[2.4]heptane-5,6-dicarboxylic acid, 5-(1,1-dimethylethyl) ester, (6R)-
IUPAC Name	(6R)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
InChI	InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
InChI Key	VEIYKHIPSJIVRK-MRVPVSSYSA-N
MDL Number	MFCD27922311
Molecular Formula	C12H19NO4
Molecular Weight	241.2836
SMILES	CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1C(O)=O
Synonyms	1454843-78-7, (R)-5-(TERT-BUTOXYCARBONYL)-5-AZASPIRO[2.4]HEPTANE-6-CARBOXYLIC ACID, (R)-5-BOC-5-AZASPIRO[2.4]HEPTANE-6-CARBOXYLIC ACID, (6R)-5-[(tert-butoxy)carbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid, MFCD27922311, ZINC96028798, AKOS027252128, SB15945, AC-29003, AS-42551, CS-0011855, FT-0772512, KS-00000607, (S)-5-(tert-Butoxycarbonyl)-5-azaspiro[2.4]heptane-6-carboxylic acid, 1129634-44-1, (R)-5-BOC-5-AZASPIRO[2.4]HEPTANE-6-CARBOXYLICACID,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

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