Home Carbonyls 2-({[(tert-butoxy)carbonyl]amino}methyl)-2-ethylbutanoic acid

2-({[(tert-butoxy)carbonyl]amino}methyl)-2-ethylbutanoic acid

CAS No.:
204514-21-6
Catalog Number:
AG01A23D
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
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Product Description
Catalog Number:
AG01A23D
Chemical Name:
2-({[(tert-butoxy)carbonyl]amino}methyl)-2-ethylbutanoic acid
CAS Number:
204514-21-6
Molecular Formula:
C12H23NO4
Molecular Weight:
245.3153
MDL Number:
MFCD22566037
IUPAC Name:
2-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
InChI:
InChI=1S/C12H23NO4/c1-6-12(7-2,9(14)15)8-13-10(16)17-11(3,4)5/h6-8H2,1-5H3,(H,13,16)(H,14,15)
InChI Key:
MAGZMMZGWAGCSJ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(CNC(=O)OC(C)(C)C)CC
Properties
Complexity:
277  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
245.319g/mol
Monoisotopic Mass:
245.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties