AG0037TD

222530-34-9 | (1S,3R)-3-[[(tert-Butoxy)carbonyl]amino]cyclohexanecarboxylic acid

AG0037TD

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CAS Number	222530-34-9
Catalog Number	AG0037TD(AGN-PC-0QYV7G)
Chemical Name	(1S,3R)-3-[[(tert-Butoxy)carbonyl]amino]cyclohexanecarboxylic acid
IUPAC Name	(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
InChI	InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m0/s1
InChI Key	JSGHMGKJNZTKGF-DTWKUNHWSA-N
MDL Number	MFCD06227743
Molecular Formula	C12H21NO4
Molecular Weight	243.2994
SMILES	C(C)(C)(C)OC(=O)N[C@H]1C[C@H](CCC1)C(=O)O
Synonyms	222530-34-9, (1S,3R)-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, (1S,3R)-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid, (1S,3R)-3-(BOC-AMINO)CYCLOHEXANECARBOXYLIC ACID, (1S,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid, cis-3-(Boc-amino)cyclohexanecarboxylic acid, (1S,3R)-3-[[(TERT-BUTOXY)CARBONYL]AMINO]CYCLOHEXANECARBOXYLIC ACID, cis-3-(tert-Butoxycarbonylamino)cyclohexanecarboxylic Acid, (1S,3R)-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylic acid, (1S,3R)-3-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid, AK109605, AC1MBSK7, cis-3-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid, SCHEMBL554987, CTK0J9714, (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid, JSGHMGKJNZTKGF-DTWKUNHWSA-N, ZINC2386598, ANW-24792, MFCD06227743, CB-2611, FCH1624297, FCH3615189, RTR-010486, SB10644, SB22024, KS-000008O6, AJ-35357, AN-29622, AS-50485, SC-52769, AX8224832, cis-N-boc-3-aminocyclohexanecarboxylic acid, TX-015581, B3539, CS-0053566, cis-3-(n-boc-amino)cyclohexane carboxylic acid, 530B349, (1S,3R)-3-(Boc-amino)cyclohexane-1-carboxylic acid, cis-3-(tertbutoxycarbonylamino)-cyclohexanecarboxylic acid, cis-3-[(tert-butoxycarbonyl)amino]-cyclohexanecarboxylic acid, 3alpha-(tert-Butoxycarbonylamino)cyclohexane-1alpha-carboxylic acid, Cyclohexanecarboxylicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,3R)-, CID2755995, 222530-33-8, CIS-(+/-)-3-(BOC-AMINO)CYCLOHEXANECARBOXYLIC ACID, (1R,3S)-rel-3-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylicacid, 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic Acid, (1S,3R)-3-{[(tert-Butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid, 97% - 1G 1g,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	243.147g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	243.303g/mol
Monoisotopic Mass	243.147g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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