5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid

C13H17FN2O3 — CID 175188689

IUPAC5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)CCC([C@H](O)c2cncc(F)c2)N1C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-13(2)4-3-10(16(13)12(18)19)11(17)8-5-9(14)7-15-6-8/h5-7,10-11,17H,3-4H2,1-2H3,(H,18,19)/t10?,11-/m1/s1
InChIKeyDKNORABOQSZMGC-RRKGBCIJSA-N
MW268.29 g/mol
LogP2.18
Rot. Bonds2

About 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid

5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid (PubChem CID 175188689) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
PubChem CID175188689
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)CCC([C@H](O)c2cncc(F)c2)N1C(=O)O
InChIInChI=1S/C13H17FN2O3/c1-13(2)4-3-10(16(13)12(18)19)11(17)8-5-9(14)7-15-6-8/h5-7,10-11,17H,3-4H2,1-2H3,(H,18,19)/t10?,11-/m1/s1
InChIKeyDKNORABOQSZMGC-RRKGBCIJSA-N
XLogP2.18
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid?
The IUPAC name of 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid (CID 175188689) is 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid is CC1(C)CCC([C@H](O)c2cncc(F)c2)N1C(=O)O.
What is the InChIKey of 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid?
The InChIKey is DKNORABOQSZMGC-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-13(2)4-3-10(16(13)12(18)19)11(17)8-5-9(14)7-15-6-8/h5-7,10-11,17H,3-4H2,1-2H3,(H,18,19)/t10?,11-/m1/s1.
What are the key properties of 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid?
5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175188689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).