AG0022T5

181289-33-8 | Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3R)-

AG0022T5

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CAS Number	181289-33-8
Catalog Number	AG0022T5(AGN-PC-0O54UC)
Chemical Name	Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3R)-
EC Number	605-923-8
IUPAC Name	(3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
InChI	InChI=1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)/t7-/m1/s1
InChI Key	NPDKTSLVWGFPQG-SSDOTTSWSA-N
MDL Number	MFCD09028111
Molecular Formula	C9H17NO3
Molecular Weight	187.2362
SMILES	[C@@H](CC(C)C)(CC(=O)N)CC(=O)O
Synonyms	181289-33-8, (R)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, (R)-(-)-3-Carbamoymethyl-5-methylhexanoic acid, (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid, (R)-3-(CARBAMOYLMETHYL)-5-METHYLHEXANOIC ACID, (3R)-3-(carbamoylmethyl)-5-methylhexanoic acid, R-(-)-3-(Carbamoylmethyl)-5-methylhexanoic acid, (R)-(-)-3-(Carbamoymethyl)-5-methylhexanoic acid, 185815-61-6, (r)-(-)-3-(carbamoylmethyl)-5-methylhexanoic acid, Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (R)-, AK-26958, PubChem15653, Intermediate of Pregabalin, PCI-6, SCHEMBL664033, Jsp003716, CTK0H1306, NPDKTSLVWGFPQG-SSDOTTSWSA-N, (3R)-3-Isobutylglutaramidic acid, BCP09597, KS-00000J0P, CC-046, MFCD09028111, ZINC22005637, AKOS006291565, AC-6812, AN-9648, GS-3374, LS30284, (r)-3-isobutyl glutaric acid monoamide, ACM185815616, AJ-80255, BR-26958, O880, SC-26993, AB0016696, AX8018970, ST2408156, CS-0030799, FT-0648924, FT-0696295, S-2032, (3R)-3-(2-amino-2-oxo-ethyl)-5-methyl-hexanoic acid, (R)-(-)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid, (R)-3-(2-hydroxy-2-iminoethyl)-5-methylhexanoic acid, Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3R)-, Pregabalin Impurity III ((R)-(-)-3-(Carbamoylmethyl)-5-methylhexanoic acid), C9H17NO3, ACN-039913, CB10111, CID11084586, 3-(carbamoylmethyl)-5-methyl-hexanoic Acid, EC 605-923-8, R)-(-)-3-(Carbamoymethyl)-5-methylhexanoic acid,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	187.121g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.239g/mol
Monoisotopic Mass	187.121g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	80.4A^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

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