3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride

C12H23FN2O5 — CID 164560509

IUPAC3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride
SMILESCNCC(=O)NCCOCCOCCOCCC(=O)F
InChIInChI=1S/C12H23FN2O5/c1-14-10-12(17)15-3-5-19-7-9-20-8-6-18-4-2-11(13)16/h14H,2-10H2,1H3,(H,15,17)
InChIKeyFJYFRYFHTDNKGF-UHFFFAOYSA-N
MW294.32 g/mol
LogP-0.74
Rot. Bonds14

About 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride

3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride (PubChem CID 164560509) has the molecular formula C12H23FN2O5 and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride.

Molecular Properties

Compound Name3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride
PubChem CID164560509
Molecular FormulaC12H23FN2O5
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride
SMILESCNCC(=O)NCCOCCOCCOCCC(=O)F
InChIInChI=1S/C12H23FN2O5/c1-14-10-12(17)15-3-5-19-7-9-20-8-6-18-4-2-11(13)16/h14H,2-10H2,1H3,(H,15,17)
InChIKeyFJYFRYFHTDNKGF-UHFFFAOYSA-N
XLogP-0.74
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride?
The IUPAC name of 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride (CID 164560509) is 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride.
What is the SMILES notation for 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride?
The canonical SMILES for 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride is CNCC(=O)NCCOCCOCCOCCC(=O)F.
What is the InChIKey of 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride?
The InChIKey is FJYFRYFHTDNKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O5/c1-14-10-12(17)15-3-5-19-7-9-20-8-6-18-4-2-11(13)16/h14H,2-10H2,1H3,(H,15,17).
What are the key properties of 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride?
3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride has a molecular weight of 294.32 g/mol, XLogP of -0.74, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl fluoride is sourced from PubChem (CID 164560509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).