AG00I44V

Name: 2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl)3-ethyl ester, (1S,3S,5S)-
Brand: Angene Chemical
SKU: AG00I44V

214193-11-0 | 2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl)3-ethyl ester, (1S,3S,5S)-

Chemical structure of 2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl)3-ethyl ester, (1S,3S,5S)-, CAS 214193-11-0

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CAS Number	214193-11-0
Catalog Number	AG00I44V(AGN-PC-0QXZLS)
Chemical Name	2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl)3-ethyl ester, (1S,3S,5S)-
IUPAC Name	2-O-tert-butyl 3-O-ethyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate
InChI	InChI=1S/C13H21NO4/c1-5-17-11(15)10-7-8-6-9(8)14(10)12(16)18-13(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9-,10-/m0/s1
InChI Key	QHWOZJGWXZDMDZ-GUBZILKMSA-N
MDL Number	MFCD13151935
Molecular Formula	C13H21NO4
Molecular Weight	255.3101
SMILES	O=C(N1[C@@]2([H])C[C@@]2([H])C[C@H]1C(OCC)=O)OC(C)(C)C
Synonyms	214193-11-0, (1S,3S,5S)-2-TERT-BUTYL 3-ETHYL 2-AZABICYCLO[3.1.0]HEXANE-2,3-DICARBOXYLATE, AC1Q31P0, SCHEMBL1571480, QHWOZJGWXZDMDZ-GUBZILKMSA-N, ZINC71788802, SB12097, ethyl (1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-carboxylate, 2-tert-butyl 3-ethyl (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate, (1S,3S,5S)-2-aza-bicyclo[3.1.0]hexane-2,3-dicarboxylic acid 2-tert-butyl ester 3-ethyl ester, 2-AZABICYCLO[3.1.0]HEXANE-2,3-DICARBOXYLIC ACID, 2-(1,1-DIMETHYLETHYL)3-ETHYL ESTER, (1S,3S,5S)-, ACN-034552, ethyl (1r,3r,5r)-2-boc-2-azabicyclo[3.1.0]hexane-3-carboxylate, 871727-37-6, 2-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) 3-ethyl ester, (1S,3S,5S)-,

Complexity	361
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
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	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited