AG0016II

1219960-66-3 | Alanine, N-(cyclobutylcarbonyl)-2-methyl-

AG0016II

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CAS Number	1219960-66-3
Catalog Number	AG0016II(AGN-PC-0WAMPU)
Chemical Name	Alanine, N-(cyclobutylcarbonyl)-2-methyl-
IUPAC Name	2-(cyclobutanecarbonylamino)-2-methylpropanoic acid
InChI	InChI=1S/C9H15NO3/c1-9(2,8(12)13)10-7(11)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChI Key	CWSSMKIHNJENMC-UHFFFAOYSA-N
MDL Number	MFCD13559827
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
SMILES	CC(C)(NC(C1CCC1)=O)C(O)=O
Synonyms	2-(Cyclobutanecarboxamido)-2-methylpropanoic acid, 1219960-66-3, N-(CYCLOBUTYLCARBONYL)-2-METHYLALANINE, SCHEMBL9830697, CTK7F7413, 1498AD, MFCD13559827, ZINC40909389, AKOS010512871, AK-71781, DS-15066, Alanine, N-(cyclobutylcarbonyl)-2-methyl-, AJ-103848, ST24039625, 2-(cyclobutylformamido)-2-methylpropanoic acid, 2-(cyclobutanecarbonylamino)-2-methylpropanoic acid, C9H15NO3, N/A,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.223g/mol
Monoisotopic Mass	185.105g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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