methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate

C14H20FNO4 — CID 61499470

IUPACmethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(O)COCc1ccccc1F
InChIInChI=1S/C14H20FNO4/c1-10(14(18)19-2)16-7-12(17)9-20-8-11-5-3-4-6-13(11)15/h3-6,10,12,16-17H,7-9H2,1-2H3
InChIKeyFKGKAPMENFUHFX-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.85
Rot. Bonds8

About methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate

methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate (PubChem CID 61499470) has the molecular formula C14H20FNO4 and a molecular weight of 285.31 g/mol. Its IUPAC name is methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
PubChem CID61499470
Molecular FormulaC14H20FNO4
Molecular Weight285.31 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(O)COCc1ccccc1F
InChIInChI=1S/C14H20FNO4/c1-10(14(18)19-2)16-7-12(17)9-20-8-11-5-3-4-6-13(11)15/h3-6,10,12,16-17H,7-9H2,1-2H3
InChIKeyFKGKAPMENFUHFX-UHFFFAOYSA-N
XLogP0.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The IUPAC name of methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate (CID 61499470) is methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The canonical SMILES for methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate is COC(=O)C(C)NCC(O)COCc1ccccc1F.
What is the InChIKey of methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The InChIKey is FKGKAPMENFUHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4/c1-10(14(18)19-2)16-7-12(17)9-20-8-11-5-3-4-6-13(11)15/h3-6,10,12,16-17H,7-9H2,1-2H3.
What are the key properties of methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate has a molecular weight of 285.31 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate is sourced from PubChem (CID 61499470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).