3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid

C10H16FNO3 — CID 164659342

IUPAC3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCC(F)C2)CCOC1
InChIInChI=1S/C10H16FNO3/c11-8-1-3-12(5-8)6-10(9(13)14)2-4-15-7-10/h8H,1-7H2,(H,13,14)
InChIKeyYTRQJQOZWLPURP-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.52
Rot. Bonds3

About 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 164659342) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID164659342
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN2CCC(F)C2)CCOC1
InChIInChI=1S/C10H16FNO3/c11-8-1-3-12(5-8)6-10(9(13)14)2-4-15-7-10/h8H,1-7H2,(H,13,14)
InChIKeyYTRQJQOZWLPURP-UHFFFAOYSA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid (CID 164659342) is 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid is O=C(O)C1(CN2CCC(F)C2)CCOC1.
What is the InChIKey of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is YTRQJQOZWLPURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c11-8-1-3-12(5-8)6-10(9(13)14)2-4-15-7-10/h8H,1-7H2,(H,13,14).
What are the key properties of 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 217.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 164659342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).