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139938-00-4 | Valine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-
CAS No: 139938-00-4 Catalog No: AG001BTX MDL No:MFCD00798615
Product Description
Catalog Number:
AG001BTX
Chemical Name:
Valine, N-[(1,1-dimethylethoxy)carbonyl]-2-methyl-
CAS Number:
139938-00-4
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD00798615
IUPAC Name:
2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C11H21NO4/c1-7(2)11(6,8(13)14)12-9(15)16-10(3,4)5/h7H,1-6H3,(H,12,15)(H,13,14)
InChI Key:
MXPBQQXWXZWBMK-UHFFFAOYSA-N
SMILES:
O=C(N[C@](C(=O)O)(C(C)C)C)OC(C)(C)C
Properties
Complexity:
280
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:
2
Isotope Atom Count:
0
Molecular Weight:
231.292g/mol
Monoisotopic Mass:
231.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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