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

C12H22FNO3 — CID 81338559

IUPACmethyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCCF)CC1CCCO1
InChIInChI=1S/C12H22FNO3/c1-16-12(15)5-8-14(7-3-6-13)10-11-4-2-9-17-11/h11H,2-10H2,1H3
InChIKeyQCWSUVPIBXAOPH-UHFFFAOYSA-N
MW247.31 g/mol
LogP1.39
Rot. Bonds8

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

methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 81338559) has the molecular formula C12H22FNO3 and a molecular weight of 247.31 g/mol. Its IUPAC name is methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate
PubChem CID81338559
Molecular FormulaC12H22FNO3
Molecular Weight247.31 g/mol
Exact Mass247.16
IUPAC Namemethyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCCF)CC1CCCO1
InChIInChI=1S/C12H22FNO3/c1-16-12(15)5-8-14(7-3-6-13)10-11-4-2-9-17-11/h11H,2-10H2,1H3
InChIKeyQCWSUVPIBXAOPH-UHFFFAOYSA-N
XLogP1.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate (CID 81338559) is methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(CCCF)CC1CCCO1.
What is the InChIKey of methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is QCWSUVPIBXAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO3/c1-16-12(15)5-8-14(7-3-6-13)10-11-4-2-9-17-11/h11H,2-10H2,1H3.
What are the key properties of methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 247.31 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 81338559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).