AG000N5R

1251004-87-1 | 2-Azabicyclo[3.1.0]hexane-1,2-dicarboxylic acid, 2-(1,1-dimethylethyl) ester

AG000N5R

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CAS Number	1251004-87-1
Catalog Number	AG000N5R(AGN-PC-0WNOKR)
Chemical Name	2-Azabicyclo[3.1.0]hexane-1,2-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
InChI	InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-4-7-6-11(7,12)8(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChI Key	ALUFNEQAPCLIBB-UHFFFAOYSA-N
MDL Number	MFCD17016465
Molecular Formula	C11H17NO4
Molecular Weight	227.2570
SMILES	O=C(C12N(C(OC(C)(C)C)=O)CCC1C2)O
Synonyms	1251004-87-1, 2-(tert-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid, 2-Azabicyclo[3.1.0]hexane-1,2-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, 2-[(tert-butoxy)carbonyl]-2-azabicyclo[3.1.0]hexane-1-carboxylic acid, AZA013, SCHEMBL18669890, DTXSID00434543, CS-M0493, MFCD17016465, AKOS022478890, FCH1617590, 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-1-carboxylic Acid, KS-00001C11, CS-13110, EN300-28944, 2-(t-Butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid, CID10036678,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.116g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.26g/mol
Monoisotopic Mass	227.116g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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