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Boc-L-valine amide

CAT: 0024-sc-285200ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-285200ASize:5 g
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CAS Number
35150-08-4

Chemical Information

Boc-L-valine amide
CAS Number35150-08-4
PubChem CID11241393
IUPAC Nametert-butyl N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamate
Molecular FormulaC10H20N2O3
Molecular Weight216.28
XLogP0.8
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity244
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H20N2O3/c1-6(2)7(8(11)13)12-9(14)15-10(3,4)5/h6-7H,1-5H3,(H2,11,13)(H,12,14)/t7-/m0/s1
InChIKey
NZSZYROZOXUFSG-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of Boc-L-valine amide
CAS: 35150-08-4
CID: 11241393
Formula: C10H20N2O3
MW: 216.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.28
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass216.14739250
Monoisotopic Mass216.14739250
Topological Polar Surface Area81.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes