methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate

C9H18FNO3 — CID 80601723

IUPACmethyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCF)CCC(=O)OC
InChIInChI=1S/C9H18FNO3/c1-13-8-7-11(6-4-10)5-3-9(12)14-2/h3-8H2,1-2H3
InChIKeyHAAKJNUUXDTGCF-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.47
Rot. Bonds8

About methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate

methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate (PubChem CID 80601723) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
PubChem CID80601723
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Namemethyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCF)CCC(=O)OC
InChIInChI=1S/C9H18FNO3/c1-13-8-7-11(6-4-10)5-3-9(12)14-2/h3-8H2,1-2H3
InChIKeyHAAKJNUUXDTGCF-UHFFFAOYSA-N
XLogP0.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
CID 115281495
methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
CID 115536455
methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
CID 115536395
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 78960557
methyl 3-[2-methoxyethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propanoate
CID 82892050
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
CID 23544922

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate (CID 80601723) is methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate is COCCN(CCF)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate?
The InChIKey is HAAKJNUUXDTGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3/c1-13-8-7-11(6-4-10)5-3-9(12)14-2/h3-8H2,1-2H3.
What are the key properties of methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate?
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate has a molecular weight of 207.24 g/mol, XLogP of 0.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 80601723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).