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Etomidate Impurity 6

CAT: 1596-AR-E02156-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-E02156-05Size:150
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CAS Number
66514-85-0
Synonyms
(R) -ethyl 2- (N- (1-phenylethyl) formamido) acetate; Etomidate Impurity 6; Etomidate Impurity 11; (R) -ethyl N-formyl-N- (1-phenylethyl) glycine; N-Formyl-N-[ (R) -1-phenylethyl]glycine ethyl ester
Molecular Formula
C13H17NO3
Molecular Weight
235.28
API Name
Etomidate

Chemical Information

(R)-Ethyl 2-(N-(1-phenylethyl)formamido)acetate
CAS Number66514-85-0
PubChem CID12408729
IUPAC Nameethyl 2-[formyl-[(1R)-1-phenylethyl]amino]acetate
Molecular FormulaC13H17NO3
Molecular Weight235.28
XLogP1.9
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity249
SMILES
CCOC(=O)CN(C=O)[C@H](C)C1=CC=CC=C1
InChI
InChI=1S/C13H17NO3/c1-3-17-13(16)9-14(10-15)11(2)12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3/t11-/m1/s1
InChIKey
WFDXDCVMMSACQE-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of (R)-Ethyl 2-(N-(1-phenylethyl)formamido)acetate
CAS: 66514-85-0
CID: 12408729
Formula: C13H17NO3
MW: 235.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.28
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass235.12084340
Monoisotopic Mass235.12084340
Topological Polar Surface Area46.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity249
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

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