AG00FC3R

69542-93-4 | 4-[(2,2-Dimethylpropanoyl)amino]butanoic acid

AG00FC3R

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CAS Number	69542-93-4
Catalog Number	AG00FC3R(AGN-PC-0JL8OC)
Chemical Name	4-[(2,2-Dimethylpropanoyl)amino]butanoic acid
EC Number	274-038-3
IUPAC Name	4-(2,2-dimethylpropanoylamino)butanoic acid
InChI	InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
InChI Key	SRPNQDXRVRCTNK-UHFFFAOYSA-N
MDL Number	MFCD00868454
Molecular Formula	C9H17NO3
Molecular Weight	187.2362
SMILES	O=C(O)CCCNC(C(C)(C)C)=O
UNII	C53SV0WO4V
Synonyms	4-((2,2-dimethyl-1-oxopropyl)amino)butanoic acid, N-trimethylacetyl GABA, N-trimethylacetyl-4-aminobutyric acid, pivagabin, pivagabine, Tonerg, 4-Pivalamidobutanoic acid, Pivagabine, 69542-93-4, 4-[(2,2-dimethylpropanoyl)amino]butanoic acid, UNII-C53SV0WO4V, Pivagabine [INN], C53SV0WO4V, 4-(2,2-dimethylpropanoylamino)butanoic acid, Pivagabine (INN), 4-(2,2-DIMETHYLPROPIONYLAMINO)BUTYRIC ACID, NCGC00160457-01, 4-(2,2-dimethylpropanamido)butanoic acid, 4-[(2,2-dimethylpropionyl)amino]butyric acid, DSSTox_CID_26162, DSSTox_RID_81393, DSSTox_GSID_46162, Tonerg, CAS-69542-93-4, 4-((2,2-Dimethylpropionyl)amino)butyric acid, SR-01000945179, CXB-722, EINECS 274-038-3, N-Trimethylacetyl-4-aminobutyric acid, 4-Pivalamidobutyric acid, AC1L2ANP, AC1Q1LQR, 4-Pivalamido-butyric acid, AC1Q5P7B, SCHEMBL96152, Butyric acid, 4-pivalamido-, N-Pivaloyl-4-aminobutyric acid, CHEMBL1870796, DTXSID3046162, NIOSH/ET6170000, CTK7F3860, CHEBI:134834, ACT10073, ZINC1545856, Tox21_111827, ANW-46453, MFCD00868454, AKOS000127419, Tox21_111827_1, DB12951, MCULE-4742309462, NE35870, NCGC00160457-02, AJ-26876, DA-18317, LS-48165, AB0007261, ST2405938, TC-135198, 4- (2,2-Dimethylpropionylamino)butyric acid, ET61700000, FT-0744708, W7931, 4-(2,2-Dimethyl-propionylamino)-butyric acid, EN300-27463, D07342, J-514186, SR-01000945179-1, SR-01000945179-2, Z85888809, Butanoic acid, 4-((2,2-dimethyl-1-oxopropyl)amino)-, pivagabin, 4-[ amino]butyricacid, 4-Pivalamidobutanoicacid, D06XKB, D0R8PE, C9H17NO3, CXB722, C9-H17-N-O3, CID68888, AR-1K8222, 62803-78-5,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	5
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number