3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid

C11H20FNO3 — CID 175463815

IUPAC3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(O)C1(F)CCN(CC(C)(C)C(=O)O)C1
InChIInChI=1S/C11H20FNO3/c1-8(14)11(12)4-5-13(7-11)6-10(2,3)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyDCJDEUHLZBPLFQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.89
Rot. Bonds4

About 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid

3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid (PubChem CID 175463815) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid
PubChem CID175463815
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid
SMILESCC(O)C1(F)CCN(CC(C)(C)C(=O)O)C1
InChIInChI=1S/C11H20FNO3/c1-8(14)11(12)4-5-13(7-11)6-10(2,3)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyDCJDEUHLZBPLFQ-UHFFFAOYSA-N
XLogP0.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid (CID 175463815) is 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid is CC(O)C1(F)CCN(CC(C)(C)C(=O)O)C1.
What is the InChIKey of 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid?
The InChIKey is DCJDEUHLZBPLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-8(14)11(12)4-5-13(7-11)6-10(2,3)9(15)16/h8,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid?
3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid has a molecular weight of 233.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 175463815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).