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

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Related Compounds

4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid
CID 175189554
(2R,6S)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-6-propylpiperidine-1-carboxylic acid
CID 155127712
(2R,7R)-2-[(S)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-7-propylazepane-1-carboxylic acid
CID 155127622
(3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 66752938
(4R)-4-[(R)-(3-fluorophenyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid
CID 155127088
(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride
CID 155127632
(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid
CID 155126957
tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
CID 155694855
tert-butyl (2R,5R)-2-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
CID 175179250
(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
CID 114097414
(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
CID 115336470
(5-fluoro-3-pyridinyl)-(3-methyloxolan-2-yl)methanol
CID 114981175

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).