AG00063V

101968-85-8 | (S)-2-(3-(Tert-Butyl)ureido)-3,3-dimethylbutanoic acid

AG00063V

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CAS Number	101968-85-8
Catalog Number	AG00063V(AGN-PC-0NVB3K)
Chemical Name	(S)-2-(3-(Tert-Butyl)ureido)-3,3-dimethylbutanoic acid
EC Number	600-257-4
IUPAC Name	(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
InChI	InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
InChI Key	RAAPXVRHYBAJQU-SSDOTTSWSA-N
MDL Number	MFCD12796012
Molecular Formula	C11H22N2O3
Molecular Weight	230.3040
SMILES	CC(C)(C)[C@H](NC(NC(C)(C)C)=O)C(O)=O
Synonyms	101968-85-8, (S)-2-(3-(tert-Butyl)ureido)-3,3-dimethylbutanoic acid, N-tert-Butylcarbamoyl-L-tert-leucine, N-[[(1,1-Dimethylethyl)amino]carbonyl]-3-methyl-L-valine, L-Valine, N-[[(1,1-dimethylethyl)amino]carbonyl]-3-methyl-, (S)-2-[3-(tert-Butyl)ureido]-3,3-dimethylbutyric Acid, N-(tert-Butylcarbamoyl)-3-methyl-L-valine, SCHEMBL635858, VAL020, CTK4A0488, KS-00000YPT, DTXSID40635370, MFCD12796012, ZINC35390559, AKOS010384807, AC-26307, AJ-91358, AK141814, AX8281949, FT-0664022, ST24035876, N-[[(TERT-BUTYL)AMINO]CARBONYL]-3-METHYL-L-VALINE, (2S)-2-(tert-Butylaminocarbonylamino)-3,3-dimethylbutanoic Acid, B5324,

Complexity	274
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	230.163g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	230.308g/mol
Monoisotopic Mass	230.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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