AG001C2H

1401464-07-0 | (1R,5S,6S)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

AG001C2H

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CAS Number	1401464-07-0
Catalog Number	AG001C2H(AGN-PC-0WAGLB)
Chemical Name	(1R,5S,6S)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
IUPAC Name	(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
InChI	InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8?
InChI Key	GYEQQDCMLKKYGG-DHBOJHSNSA-N
MDL Number	MFCD12198805
Molecular Formula	C11H17NO4
Molecular Weight	227.2570
SMILES	O=C([C@H]1[C@@]2([H])CN(C(OC(C)(C)C)=O)C[C@@]12[H])O
Synonyms	927679-54-7, 1401464-07-0, (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, (1R,5S,6S)-3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID, EXO-3-BOC-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID, (1R,5S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, (1S,5R)-3-TERT-BUTOXYCARBONYL-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID, endo-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, exo-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, endo-3-boc-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, AK-37695, EN300-55188, Endo-(1R,5S,6S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, (1R,5S,6s)-3-(tert-Butoxycarbonyl)-3-azabicyclo-[3.1.0]hexane-6-carboxylic acid, cis-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, GYEQQDCMLKKYGG-DHBOJHSNSA-N, AC1Q1MVQ, SCHEMBL9934205, SCHEMBL9934208, CTK7G2481, DTXSID00653858, ALBB-022621, KS-000003FL, KS-00001C0N, MFCD12198680, MFCD12198805, SBB069620, ZINC32628911, AKOS015949518, AKOS024463241, AKOS025311342, ZINC100047840, ZINC100078364, FCH3569160, MCULE-9982432732, PB15065, RP07435, RTR-038437, SB10659, AJ-85446, AM804558, AN-26338, AS-32683, AS-46534, OR302739, SC-95473, AB0049856, AX8163850, ST1080479, TR-038437, CS-0035497, CS-0036377, FT-0656408, ST24033624, Y4723, A10951, C-8540, 679B547, J-500484, S14-1572, (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3., Z414834464, (1R,5S,6R)-3-BOC-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, (1R,5S)-3-tert-Butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, exo-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, (1R,5S,6r)-3-(tert-butoxycarbonyl)-3-aza-bicyclo[3.1.0]hexane-6-carboxylic acid, (1R,5S,6R)-3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, (1R,5S,6r);-3-(tert-Butoxycarbonyl);-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, (5S,1R)-3-[(tert-butyl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic aci d, (Meso-1R,5S,6S)-3-(Tert-Butoxycarbonyl)-3-Azabicyclo[3.1.0]Hexane-6-Carboxylic Acid, 3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1alpha,5alpha,6alpha)-, 3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1alpha,5alpha,6beta)-, 3-AZABICYCLO[3.1.0]HEXANE-3,6-DICARBOXYLIC ACID, 3-(1,1-DIMETHYLETHYL) ESTER, (1R,5S)-, C11H17NO4, (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylicacid, (1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-(tert-butyl) ester,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
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	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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

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