AG002FE5

191664-14-9 | (2R)-2-([(tert-Butoxycarbonyl)amino]methyl)-3-methylbutanoic acid

AG002FE5

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CAS Number	191664-14-9
Catalog Number	AG002FE5(AGN-PC-0QKNZ5)
Chemical Name	(2R)-2-([(tert-Butoxycarbonyl)amino]methyl)-3-methylbutanoic acid
IUPAC Name	(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
InChI	InChI=1S/C11H21NO4/c1-7(2)8(9(13)14)6-12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChI Key	IGJIQZVMCRTQQX-QMMMGPOBSA-N
MDL Number	MFCD07372880
Molecular Formula	C11H21NO4
Molecular Weight	231.2887
SMILES	CC(C)[C@H](CNC(OC(C)(C)C)=O)C(O)=O
Synonyms	191664-14-9, (R)-2-(((tert-Butoxycarbonyl)amino)methyl)-3-methylbutanoic acid, (2R)-2-{[(tert-Butoxycarbonyl)amino]methyl}-3-methylbutanoic acid, Boc-(R)-2-(aminomethyl)-3-methylbutanoic acid, (2R)-2-({[(tert-butoxy)carbonyl]amino}methyl)-3-methylbutanoic acid, (2R)-2-([(TERT-BUTOXYCARBONYL)AMINO]METHYL)-3-METHYLBUTANOIC ACID, AK119233, SCHEMBL7118994, CTK7G9064, (2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid, KS-00000R0V, ZX-AT012925, MFCD07372880, ZINC36533503, AKOS015948789, AB35721, DS-2821, FCH1619543, OR40216, AJ-93207, AX8244649, DB-065753, ST2414432, CS-0041824, FT-0773290, (R)-2-[(tert-Butoxycarbonylamino)methyl]-3-methylbutyric acid, (2R)-2-[(tert-butoxycarbonylamino)methyl]-3-methyl-butanoic acid, (2R)-2-[(tert-butoxycarbonylamino)methyl]-3-methyl-butyric acid, (2S)-2-{[(tert-Butoxycarbonyl)amino]methyl}-3-methylbutyric acid, (2R)-3-methyl-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]butanoic acid, Butanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methyl-, (2R)-, (R)-2-[(BOC-AMINO)METHYL]-3-METHYLBUTYRIC ACID, (R)-2-(((tert-Butoxycarbonyl)amino)methyl)-3-methylbutanoicacid, 210346-16-0,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	231.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	231.292g/mol
Monoisotopic Mass	231.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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