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204514-14-7,MFCD24445652
Catalog No.:AA00BJ0F
204514-14-7 | Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate
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Technical Information
Catalog Number:
AA00BJ0F
Chemical Name:
Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate
CAS Number:
204514-14-7
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD24445652
IUPAC Name:
ethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C12H23NO4/c1-7-16-9(14)12(5,6)8-13-10(15)17-11(2,3)4/h7-8H2,1-6H3,(H,13,15)
InChI Key:
AOBMJQSOIZGTLC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CNC(=O)OC(C)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.163g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
204514-14-7 
Ethyl 3-((tert-butoxycarbonyl)amino)-2,2-dimethylpropanoate 
ethyl 3-(tert-butoxycarbonylaMino)-2,2-diMethylpropanoate 
Ethyl 3-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylpropanoate 
3-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethylPropanoic acid ethyl ester 
ethyl 3-[(tert-butoxycarbonyl)amino]-2,2-dimethylpropanoate 
SCHEMBL4240132 
AOBMJQSOIZGTLC-UHFFFAOYSA-N 
ZINC95936099 
SY058536 
Ethyl 3-(Boc-amino)-2,2-dimethylpropionate 
FT-0732417 
MFCD24445652 (95%) 
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