AG001THE

16284-60-9 | Glycine, N-(3-methyl-1-oxobutyl)-

AG001THE

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CAS Number	16284-60-9
Catalog Number	AG001THE(AGN-PC-0JSOAQ)
Chemical Name	Glycine, N-(3-methyl-1-oxobutyl)-
IUPAC Name	2-(3-methylbutanoylamino)acetic acid
InChI	InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChI Key	ZRQXMKMBBMNNQC-UHFFFAOYSA-N
MDL Number	MFCD00059629
Molecular Formula	C7H13NO3
Molecular Weight	159.1830
SMILES	O=C(O)CNC(CC(C)C)=O
Synonyms	N-isovalerylglycine, N-Isovaleroylglycine, 16284-60-9, 2-(3-Methylbutanamido)acetic acid, N-Isovalerylglycine, Isovalerylglycine, [(3-Methylbutanoyl)amino]acetic acid, N-(3-methylbutanoyl)glycine, 2-[(3-Methylbutanoyl)amino]acetic acid, ZRQXMKMBBMNNQC-UHFFFAOYSA-N, 2-(3-Methyl-Butanamido)Acetic Acid, 2-(3-methylbutanoylamino)ethanoic acid, Isovaleroylglycine, isopentanoylglycine, N-isopentanoylglycine, N-isovaleryl-glycine, 3-Methylbutyrylglycine, ACMC-209doz, AC1LC1S1, SCHEMBL622444, AC1Q1P36, (3-methylbutanamido)acetic acid, CHEBI:70984, CTK0H3559, KS-00000ACP, (3-methylbutyrylamino)acetic acid, [(3-methylbutanoyl)amino]acetate, DTXSID00338092, 2-(3-methylbutanoylamino)ethanoate, ZINC2527898, 8261AA, ANW-22017, MFCD00059629, 2-(3-methylbutanoylamino)acetic acid, Glycine, N-(3-methyl-1-oxobutyl)-, AKOS000128580, CS-W016180, HY-W015464, [(3-Methylbutanoyl)amino]acetic acid #, N-Isovalerylglycine, >=97.0% (GC), AJ-38188, AK-61155, AS-10597, SY040457, TR-066243, 4CH-024787, BB 0259545, FT-0670570, I0301, ST24039330, MFCD00059629 (97%), [(3-Methylbutanoyl)amino]acetic acid, AldrichCPR, J-009980, I14-35683, N-Iso Valerylglycine, C7H13NO3, CID546304,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	159.09g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	159.185g/mol
Monoisotopic Mass	159.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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