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169870-82-0 | Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
CAS No: 169870-82-0 Catalog No: AG0006TV MDL No:MFCD00057782
Product Description
Catalog Number:
AG0006TV
Chemical Name:
Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
CAS Number:
169870-82-0
Molecular Formula:
C11H21NO4
Molecular Weight:
231.2887
MDL Number:
MFCD00057782
IUPAC Name:
3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)
InChI Key:
LRFZIPCTFBPFLX-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
273
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:
2.3
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