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

C10H17FN2O4 — CID 174517427

IUPAC2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESCCCC(F)(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H17FN2O4/c1-2-3-10(11,8(14)15)12-9(16)13-4-6-17-7-5-13/h2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyQRLBROJLEZHGEP-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.58
Rot. Bonds4

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

2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid (PubChem CID 174517427) has the molecular formula C10H17FN2O4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid
PubChem CID174517427
Molecular FormulaC10H17FN2O4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid
SMILESCCCC(F)(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C10H17FN2O4/c1-2-3-10(11,8(14)15)12-9(16)13-4-6-17-7-5-13/h2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyQRLBROJLEZHGEP-UHFFFAOYSA-N
XLogP0.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid?
The IUPAC name of 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid (CID 174517427) is 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid?
The canonical SMILES for 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid is CCCC(F)(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid?
The InChIKey is QRLBROJLEZHGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O4/c1-2-3-10(11,8(14)15)12-9(16)13-4-6-17-7-5-13/h2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid?
2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid has a molecular weight of 248.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(morpholine-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 174517427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).