2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid

C16H23FN2O3 — CID 139579809

IUPAC2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc(CN2CCC(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)
InChIKeyNPVOAXNSRAKBBZ-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.06
Rot. Bonds6

About 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid

2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid (PubChem CID 139579809) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
PubChem CID139579809
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cc(CN2CCC(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)
InChIKeyNPVOAXNSRAKBBZ-UHFFFAOYSA-N
XLogP2.06
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The IUPAC name of 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid (CID 139579809) is 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1cc(CN2CCC(F)C2)ccc1=O.
What is the InChIKey of 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
The InChIKey is NPVOAXNSRAKBBZ-UHFFFAOYSA-N. 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).
What are the key properties of 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid?
2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid has a molecular weight of 310.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-oxo-1-pyridinyl]-4-methylpentanoic acid is sourced from PubChem (CID 139579809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).