5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid

C10H17FN2O4 — CID 174517426

IUPAC5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESO=C(O)C(CCCF)NC(=O)N1CCOCC1
InChIInChI=1S/C10H17FN2O4/c11-3-1-2-8(9(14)15)12-10(16)13-4-6-17-7-5-13/h8H,1-7H2,(H,12,16)(H,14,15)
InChIKeyPWFPASIZLDSDMF-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.23
Rot. Bonds5

About 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid

5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid (PubChem CID 174517426) has the molecular formula C10H17FN2O4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid
PubChem CID174517426
Molecular FormulaC10H17FN2O4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESO=C(O)C(CCCF)NC(=O)N1CCOCC1
InChIInChI=1S/C10H17FN2O4/c11-3-1-2-8(9(14)15)12-10(16)13-4-6-17-7-5-13/h8H,1-7H2,(H,12,16)(H,14,15)
InChIKeyPWFPASIZLDSDMF-UHFFFAOYSA-N
XLogP0.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid?
The IUPAC name of 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid (CID 174517426) is 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid?
The canonical SMILES for 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid is O=C(O)C(CCCF)NC(=O)N1CCOCC1.
What is the InChIKey of 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid?
The InChIKey is PWFPASIZLDSDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O4/c11-3-1-2-8(9(14)15)12-10(16)13-4-6-17-7-5-13/h8H,1-7H2,(H,12,16)(H,14,15).
What are the key properties of 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid?
5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid has a molecular weight of 248.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 174517426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).