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101968-85-8,MFCD12796012
Catalog No.:AA000613
101968-85-8 | (S)-2-(3-(tert-Butyl)ureido)-3,3-dimethylbutanoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
2 weeks  
$82.00   $58.00
- +
5g
98%
2 weeks  
$92.00   $65.00
- +
25g
98%
2 weeks  
$228.00   $160.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000613
Chemical Name:
(S)-2-(3-(tert-Butyl)ureido)-3,3-dimethylbutanoic acid
CAS Number:
101968-85-8
Molecular Formula:
C11H22N2O3
Molecular Weight:
230.3040
MDL Number:
MFCD12796012
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
SMILES:
O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)O
EC Number:
600-257-4
Properties
Computed Properties
 
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  

Synonyms
 
101968-85-8 
(S)-2-(3-(tert-Butyl)ureido)-3,3-dimethylbutanoic acid 
KS-00000YPT 
DTXSID40635370 
MFCD12796012 
ZINC35390559 
AKOS010384807 
AC-26307 
AJ-91358 
AK141814 
AX8281949 
FT-0664022 
N-tert-Butylcarbamoyl-L-tert-leucine 
ST24035876 
N-[[(TERT-BUTYL)AMINO]CARBONYL]-3-METHYL-L-VALINE 
(2S)-2-(tert-Butylaminocarbonylamino)-3,3-dimethylbutanoic Acid 
B5324 
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 
Literature
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