AG006WMW

227626-60-0 | 2-(1-(((tert-Butoxycarbonyl)amino)methyl)cyclohexyl)acetic acid

AG006WMW

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CAS Number	227626-60-0
Catalog Number	AG006WMW(AGN-PC-0QZD4R)
Chemical Name	2-(1-(((tert-Butoxycarbonyl)amino)methyl)cyclohexyl)acetic acid
IUPAC Name	2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetic acid
InChI	InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-10-14(9-11(16)17)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChI Key	YOOHANJKYCQHED-UHFFFAOYSA-N
MDL Number	MFCD03839829
Molecular Formula	C14H25NO4
Molecular Weight	271.3526
SMILES	O=C(O)CC1(CNC(OC(C)(C)C)=O)CCCCC1
Synonyms	227626-60-0, 2-(1-(((tert-Butoxycarbonyl)amino)methyl)cyclohexyl)acetic acid, [1-(n-boc-aminomethyl)-cyclohexyl]-acetic acid, boc-gabapentin, (1-{[(tert-butoxycarbonyl)amino]methyl}cyclohexyl)acetic acid, [1-(N-Boc-aminomethyl)cyclohexyl]acetic acid, [1-(Tert-Butoxycarbonylamino-Methyl)-Cyclohexyl]-Acetic Acid, 2-[1-({[(tert-butoxy)carbonyl]amino}methyl)cyclohexyl]acetic acid, 2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetic Acid, (1-{[(tert-Butoxycarbonyl)amino]methyl}-cyclohexyl)acetic acid, (1-(((tert-butoxycarbonyl)amino)methyl)cyclohexyl)acetic acid, N-rt-Butyloxycarbonyl Gabapentin, AC1MBSFP, 2-N-Boc-aminomethyl-2-cyclohexylaceticacid, AC1Q1NDQ, SCHEMBL1076767, CTK8E2911, KS-00000KGD, DTXSID70373152, YOOHANJKYCQHED-UHFFFAOYSA-N, ALBB-015795, ZINC2512920, 7763AD, BBL010437, MFCD03839829, STK716517, AKOS005175128, MCULE-4894457444, AJ-36706, AK129158, BS-11768, SC-52751, 2-n-boc-aminomethyl-2-cyclohexylacetic acid, AB0073092, DB-016909, RT-011011, FT-0684281, [1-(N-Boc-aminomethyl)-cyclohexyl]-aceticacid, A-7490, 2-[1-[(Boc-amino)methyl]cyclohexyl]acetic acid, 3-(tert-butoxycarbonyl)-2-cyclohexylpropanoic acid, I04-3935, Z1695799417, [1-(TERT-BUTOXYCARBONYLAMINO-METHYL)-CYCLOHEXYL]-A, 1-(N-tert-butoxycarbonylaminomethyl) cyclohexan acetic acid, 1-(n-tert-butoxycarbonylaminomethyl)cyclohexan acetic acid, 1-(tert-butoxycarbonylamino-methyl)-cyclohexyl-acetic acid, 1-[(tert-Butoxycarbonyl)aminomethyl]-1-Cyclohexane Acetic Acid, 2-(1-((tert-butoxycarbonylamino)methyl)cyclohexyl)ethanoic acid, [1-(tert-Butoxycarbonylamino-methyl)-cyclohexyl]-acetic acid, AldrichCPR, cyclohexaneacetic acid, 1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, C14H25NO4, CID2755941, A13940,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	271.178g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	271.357g/mol
Monoisotopic Mass	271.178g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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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