4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid

C13H17FN2O3 — CID 126622545

IUPAC4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid
SMILESCc1cccc(C[C@@H](O)C2CC(F)CN2C(=O)O)n1
InChIInChI=1S/C13H17FN2O3/c1-8-3-2-4-10(15-8)6-12(17)11-5-9(14)7-16(11)13(18)19/h2-4,9,11-12,17H,5-7H2,1H3,(H,18,19)/t9?,11?,12-/m1/s1
InChIKeyNUGICNXGXSFHEY-QEWOUOOISA-N
MW268.29 g/mol
LogP1.38
Rot. Bonds3

About 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid

4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid (PubChem CID 126622545) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid
PubChem CID126622545
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid
SMILESCc1cccc(C[C@@H](O)C2CC(F)CN2C(=O)O)n1
InChIInChI=1S/C13H17FN2O3/c1-8-3-2-4-10(15-8)6-12(17)11-5-9(14)7-16(11)13(18)19/h2-4,9,11-12,17H,5-7H2,1H3,(H,18,19)/t9?,11?,12-/m1/s1
InChIKeyNUGICNXGXSFHEY-QEWOUOOISA-N
XLogP1.38
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid (CID 126622545) is 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid is Cc1cccc(C[C@@H](O)C2CC(F)CN2C(=O)O)n1.
What is the InChIKey of 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is NUGICNXGXSFHEY-QEWOUOOISA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8-3-2-4-10(15-8)6-12(17)11-5-9(14)7-16(11)13(18)19/h2-4,9,11-12,17H,5-7H2,1H3,(H,18,19)/t9?,11?,12-/m1/s1.
What are the key properties of 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid?
4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 268.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1R)-1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126622545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).