2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

C13H16N2O3 — CID 169247773

IUPAC2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
SMILESC[C@@H]1CCCN1c1nc2c(cc1C(=O)O)COC2
InChIInChI=1S/C13H16N2O3/c1-8-3-2-4-15(8)12-10(13(16)17)5-9-6-18-7-11(9)14-12/h5,8H,2-4,6-7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyZHHFMTDABKYCKL-MRVPVSSYSA-N
MW248.28 g/mol
LogP1.80
Rot. Bonds2

About 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid (PubChem CID 169247773) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
PubChem CID169247773
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
SMILESC[C@@H]1CCCN1c1nc2c(cc1C(=O)O)COC2
InChIInChI=1S/C13H16N2O3/c1-8-3-2-4-15(8)12-10(13(16)17)5-9-6-18-7-11(9)14-12/h5,8H,2-4,6-7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyZHHFMTDABKYCKL-MRVPVSSYSA-N
XLogP1.80
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid (CID 169247773) is 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid is C[C@@H]1CCCN1c1nc2c(cc1C(=O)O)COC2.
What is the InChIKey of 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is ZHHFMTDABKYCKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-3-2-4-15(8)12-10(13(16)17)5-9-6-18-7-11(9)14-12/h5,8H,2-4,6-7H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid?
2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 169247773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).