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13850-91-4 | Valine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CAS No: 13850-91-4 Catalog No: AG0019AY MDL No:MFCD00153317
Product Description
Catalog Number:
AG0019AY
Chemical Name:
Valine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CAS Number:
13850-91-4
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD00153317
IUPAC Name:
3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
InChI:
InChI=1S/C11H21NO4/c1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h7-8H,1-6H3,(H,13,14)
InChI Key:
XPUAXAVJMJDPDH-UHFFFAOYSA-N
SMILES:
CC([C@H](N(C(=O)OC(C)(C)C)C)C(=O)O)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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