AG001MM5

150435-81-7 | 1-Benzyl-4-(tert-butoxycarbonylamino)piperidine-4-carboxylic acid

AG001MM5

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CAS Number	150435-81-7
Catalog Number	AG001MM5(AGN-PC-07HAW2)
Chemical Name	1-Benzyl-4-(tert-butoxycarbonylamino)piperidine-4-carboxylic acid
IUPAC Name	1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid
InChI	InChI=1S/C18H26N2O4/c1-17(2,3)24-16(23)19-18(15(21)22)9-11-20(12-10-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,19,23)(H,21,22)
InChI Key	WZXFCLVBUXTWRS-UHFFFAOYSA-N
MDL Number	MFCD07388991
Molecular Formula	C18H26N2O4
Molecular Weight	334.4100
SMILES	O=C(C1(NC(OC(C)(C)C)=O)CCN(CC2=CC=CC=C2)CC1)O
Synonyms	150435-81-7, 1-Benzyl-4-(Boc-amino)piperidine-4-carboxylic acid, 1-benzyl-4-(tert-butoxycarbonylamino)piperidine-4-carboxylic acid, 1-Benzyl-4-((tert-butoxycarbonyl)amino)piperidine-4-carboxylic acid, 1-Benzyl-4-[(tert-butoxycarbonyl)amino]piperidine-4-carboxylic acid, 4-Piperidinecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-, ACMC-1C54A, 1-Benzyl-4-(Boc-amino)piperidine-4-carboxylicAcid, SCHEMBL8606869, CTK0H3748, KS-00000DNO, DTXSID10671947, CS-D0688, ANW-49404, MFCD07388991, ZINC40448403, AKOS007930599, CB-3601, TRA0085611, AC-24252, AK-28790, DS-11157, SY009448, AB0022427, AB1006468, AJ-102698, ST2415155, TR-006139, 4CH-013974, FT-0648403, W3288, A-6762, A25762, MFCD07388991 (97+%), 435B817, I14-11262, 1-benzyl-4-(tert-butoxycarbonyl)piperidine-4-carboxylic acid, 1-BENZYL-4-(TERT-BUTOXYCARBONYLAMINO)PIPERIDINE-4-CARBOXYLICACID, 1-benzyl-4-{[(tert-butoxy)carbonyl]amino}piperidine-4-carboxylic acid, 1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid, 4-Piperidinecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(phenylmethyl)-, C18H26N2O4,

Complexity	444
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.189g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	334.416g/mol
Monoisotopic Mass	334.189g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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