(3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid

C11H13FN2O3 — CID 66752938

IUPAC(3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H]([C@@H](O)c2cncc(F)c2)C1
InChIInChI=1S/C11H13FN2O3/c12-9-3-8(4-13-5-9)10(15)7-1-2-14(6-7)11(16)17/h3-5,7,10,15H,1-2,6H2,(H,16,17)/t7-,10+/m0/s1
InChIKeyUCHHRKXMFCLHTC-OIBJUYFYSA-N
MW240.23 g/mol
LogP1.25
Rot. Bonds2

About (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid

(3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid (PubChem CID 66752938) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
PubChem CID66752938
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H]([C@@H](O)c2cncc(F)c2)C1
InChIInChI=1S/C11H13FN2O3/c12-9-3-8(4-13-5-9)10(15)7-1-2-14(6-7)11(16)17/h3-5,7,10,15H,1-2,6H2,(H,16,17)/t7-,10+/m0/s1
InChIKeyUCHHRKXMFCLHTC-OIBJUYFYSA-N
XLogP1.25
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
CID 115336470
5-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
CID 175188689
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
(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65410799
(5-fluoro-3-pyridinyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanol
CID 114097414
(5-fluoro-3-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105116035
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 111459545
(5-fluoro-3-pyridinyl)-(3-methyloxolan-2-yl)methanol
CID 114981175
3-[(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-hydroxymethyl]pyrrolidine-1-carboxylic acid
CID 123228089
tert-butyl (2R,5R)-2-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
CID 155694855

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid (CID 66752938) is (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@H]([C@@H](O)c2cncc(F)c2)C1.
What is the InChIKey of (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is UCHHRKXMFCLHTC-OIBJUYFYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-9-3-8(4-13-5-9)10(15)7-1-2-14(6-7)11(16)17/h3-5,7,10,15H,1-2,6H2,(H,16,17)/t7-,10+/m0/s1.
What are the key properties of (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid?
(3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 240.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66752938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).