5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid

C7H10F3NO4 — CID 82706085

IUPAC5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NOCC(F)(F)F
InChIInChI=1S/C7H10F3NO4/c8-7(9,10)4-15-11-5(12)2-1-3-6(13)14/h1-4H2,(H,11,12)(H,13,14)
InChIKeyRKOLJPSUZNULTN-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.85
Rot. Bonds6

About 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid

5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid (PubChem CID 82706085) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid
PubChem CID82706085
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NOCC(F)(F)F
InChIInChI=1S/C7H10F3NO4/c8-7(9,10)4-15-11-5(12)2-1-3-6(13)14/h1-4H2,(H,11,12)(H,13,14)
InChIKeyRKOLJPSUZNULTN-UHFFFAOYSA-N
XLogP0.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid (CID 82706085) is 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid is O=C(O)CCCC(=O)NOCC(F)(F)F.
What is the InChIKey of 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid?
The InChIKey is RKOLJPSUZNULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c8-7(9,10)4-15-11-5(12)2-1-3-6(13)14/h1-4H2,(H,11,12)(H,13,14).
What are the key properties of 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid?
5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid has a molecular weight of 229.15 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(2,2,2-trifluoroethoxyamino)pentanoic acid is sourced from PubChem (CID 82706085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).