AG002ZW9

303752-38-7 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-

AG002ZW9

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CAS Number	303752-38-7
Catalog Number	AG002ZW9(AGN-PC-0R5QSL)
Chemical Name	Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-
IUPAC Name	3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylic acid
InChI	InChI=1S/C11H17NO4/c1-9(2,3)16-8(15)12-11-4-10(5-11,6-11)7(13)14/h4-6H2,1-3H3,(H,12,15)(H,13,14)
InChI Key	CKXLBAVWWJDBHS-UHFFFAOYSA-N
MDL Number	MFCD09971715
Molecular Formula	C11H17NO4
Molecular Weight	227.2570
SMILES	O=C(C1(C2)CC2(NC(OC(C)(C)C)=O)C1)O
Synonyms	303752-38-7, 3-{[(tert-butoxy)carbonyl]amino}bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(Boc-amino)bicyclo[1.1.1]pentane-1-carboxylic acid, 3-((tert-Butoxycarbonyl)amino)bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[(tert-butoxycarbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(tert-Butoxycarbonylamino)bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(Boc-amino)-bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(Boc-amino)-bicyclo-[1.1.1]pentane-1-carboxylic acid, 3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-1-carboxylic acid, 3-([(tert-Butoxy)carbonyl]amino)bicyclo[1.1.1]pentane-1-carboxylic acid, AC1Q1NBA, SCHEMBL18038894, CTK7G4243, KS-000004GZ, MFCD09971715, ZINC12506681, AKOS025290722, CS-W000155, GS-8015, NE56266, SB11710, AK170387, SY042145, ST1251333, EN300-88065, MFCD09971715 (95%), Z360056694, 3-([(t-Butoxy)carbonyl]amino)bicyclo[1.1.1]pentane-1-carboxylic acid, Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 3-Aminobicyclo[1.1.1]pentane-1-carboxylic acid, N-BOC protected,

Complexity	336
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	2
Isotope Atom Count	0
Molecular Weight	227.26g/mol
Monoisotopic Mass	227.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number