ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate

C14H20FNO4 — CID 60909508

IUPACethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COCc1ccccc1F
InChIInChI=1S/C14H20FNO4/c1-2-20-14(18)8-16-7-12(17)10-19-9-11-5-3-4-6-13(11)15/h3-6,12,16-17H,2,7-10H2,1H3
InChIKeyCGUIJFBLDGIFDU-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.86
Rot. Bonds9

About ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate

ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate (PubChem CID 60909508) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
PubChem CID60909508
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Nameethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COCc1ccccc1F
InChIInChI=1S/C14H20FNO4/c1-2-20-14(18)8-16-7-12(17)10-19-9-11-5-3-4-6-13(11)15/h3-6,12,16-17H,2,7-10H2,1H3
InChIKeyCGUIJFBLDGIFDU-UHFFFAOYSA-N
XLogP0.86
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate (CID 60909508) is ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate is CCOC(=O)CNCC(O)COCc1ccccc1F.
What is the InChIKey of ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate?
The InChIKey is CGUIJFBLDGIFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4/c1-2-20-14(18)8-16-7-12(17)10-19-9-11-5-3-4-6-13(11)15/h3-6,12,16-17H,2,7-10H2,1H3.
What are the key properties of ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate?
ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate has a molecular weight of 285.31 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate is sourced from PubChem (CID 60909508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).