methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate

C11H20FNO3 — CID 80601927

IUPACmethyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCF)CC1CCCO1
InChIInChI=1S/C11H20FNO3/c1-15-11(14)4-6-13(7-5-12)9-10-3-2-8-16-10/h10H,2-9H2,1H3
InChIKeyUGMBEDDVKOSIQI-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.00
Rot. Bonds7

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

methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 80601927) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID80601927
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Namemethyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCF)CC1CCCO1
InChIInChI=1S/C11H20FNO3/c1-15-11(14)4-6-13(7-5-12)9-10-3-2-8-16-10/h10H,2-9H2,1H3
InChIKeyUGMBEDDVKOSIQI-UHFFFAOYSA-N
XLogP1.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate (CID 80601927) is methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(CCF)CC1CCCO1.
What is the InChIKey of methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is UGMBEDDVKOSIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-15-11(14)4-6-13(7-5-12)9-10-3-2-8-16-10/h10H,2-9H2,1H3.
What are the key properties of methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 233.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 80601927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).