AG002KPY

210346-16-0 | Butanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methyl-, (2S)-

AG002KPY

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CAS Number	210346-16-0
Catalog Number	AG002KPY(AGN-PC-0QX767)
Chemical Name	Butanoic acid, 2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methyl-, (2S)-
IUPAC Name	(2S)-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-/m1/s1
InChI Key	IGJIQZVMCRTQQX-MRVPVSSYSA-N
MDL Number	MFCD07372879
Molecular Formula	C11H21NO4
Molecular Weight	231.2887
SMILES	CC(C)[C@@H](CNC(OC(C)(C)C)=O)C(O)=O
Synonyms	210346-16-0, (S)-2-(((tert-Butoxycarbonyl)amino)methyl)-3-methylbutanoic acid, Boc-(S)-2-(aminomethyl)-3-methylbutanoic acid, (2S)-2-{[(tert-Butoxycarbonyl)amino]methyl}-3-methylbutanoic acid, (2S)-2-{[(tert-Butoxycarbonyl)amino]-methyl}-3-methylbutanoic acid, (2S)-2-([(TERT-BUTOXYCARBONYL)AMINO]METHYL)-3-METHYLBUTANOIC ACID, (2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid, SCHEMBL13109070, CTK7G9059, ZX-AT021887, 0750AB, MFCD07372879, ZINC36533501, AKOS016844043, AB35717, FCH1625248, OR40215, ACM210346160, AJ-93206, AK119229, PS-12447, AX8244645, CS-0060834, ST24035816, (S)-2-(tert-Butoxycarbonylaminomethyl)-3-methylbutanoic acid, (2R)-2-{[(tert-Butoxycarbonyl)amino]methyl}-3-methylbutyric acid, (2S)-2-[(tert-butoxycarbonylamino)methyl]-3-methyl-butanoic acid, (2S)-2-[(tert-butoxycarbonylamino)methyl]-3-methyl-butyric acid, (2S)-3-methyl-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]butanoic acid, C11H21NO4, (2R)-2-{[(tert-Butoxycarbonyl)amino]methyl}-3-methylbutanoic acid, (S)-2-(((tert-Butoxycarbonyl)amino)methyl)-3-methylbutanoicacid,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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