[2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium

C16H24FN2O3+ — CID 153352625

IUPAC[2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium
SMILESCC(C)CC(C(=O)[OH2+])n1cc(CN2CC[C@@H](F)C2)ccc1=O
InChIInChI=1S/C16H23FN2O3/c1-11(2)7-14(16(21)22)19-9-12(3-4-15(19)20)8-18-6-5-13(17)10-18/h3-4,9,11,13-14H,5-8,10H2,1-2H3,(H,21,22)/p+1/t13-,14?/m1/s1
InChIKeyNPVOAXNSRAKBBZ-KWCCSABGSA-O
MW311.38 g/mol
LogP1.23
Rot. Bonds6

About [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium

[2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium (PubChem CID 153352625) has the molecular formula C16H24FN2O3+ and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium.

Molecular Properties

Compound Name[2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium
PubChem CID153352625
Molecular FormulaC16H24FN2O3+
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name[2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium
SMILESCC(C)CC(C(=O)[OH2+])n1cc(CN2CC[C@@H](F)C2)ccc1=O
InChIInChI=1S/C16H23FN2O3/c1-11(2)7-14(16(21)22)19-9-12(3-4-15(19)20)8-18-6-5-13(17)10-18/h3-4,9,11,13-14H,5-8,10H2,1-2H3,(H,21,22)/p+1/t13-,14?/m1/s1
InChIKeyNPVOAXNSRAKBBZ-KWCCSABGSA-O
XLogP1.23
TPSA65.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium?
The IUPAC name of [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium (CID 153352625) is [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium.
What is the SMILES notation for [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium?
The canonical SMILES for [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium is CC(C)CC(C(=O)[OH2+])n1cc(CN2CC[C@@H](F)C2)ccc1=O.
What is the InChIKey of [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium?
The InChIKey is NPVOAXNSRAKBBZ-KWCCSABGSA-O. The full InChI is InChI=1S/C16H23FN2O3/c1-11(2)7-14(16(21)22)19-9-12(3-4-15(19)20)8-18-6-5-13(17)10-18/h3-4,9,11,13-14H,5-8,10H2,1-2H3,(H,21,22)/p+1/t13-,14?/m1/s1.
What are the key properties of [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium?
[2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium has a molecular weight of 311.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]oxidanium is sourced from PubChem (CID 153352625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).