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Glycine Impurity 10

CAT: 1299-RM-D630910-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D630910-01Size:10 mg
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CAS Number
25438-03-3
Synonyms
Ethyl (tert-butoxycarbonyl) glycylglycinate
Molecular Formula
C11H20N2O5
Molecular Weight
260.29
Target Alternative Name
Glycine

Chemical Information

Ethyl (tert-butoxycarbonyl)glycylglycinate
CAS Number25438-03-3
PubChem CID13469365
IUPAC Nameethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
Molecular FormulaC11H20N2O5
Molecular Weight260.29
XLogP0.6
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity309
SMILES
CCOC(=O)CNC(=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H20N2O5/c1-5-17-9(15)7-12-8(14)6-13-10(16)18-11(2,3)4/h5-7H2,1-4H3,(H,12,14)(H,13,16)
InChIKey
LGHXOGUCNBGXPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (tert-butoxycarbonyl)glycylglycinate
CAS: 25438-03-3
CID: 13469365
Formula: C11H20N2O5
MW: 260.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.29
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass260.13722174
Monoisotopic Mass260.13722174
Topological Polar Surface Area93.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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