2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid

C11H14N2O4 — CID 129359483

IUPAC2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCO[C@@H]1CN(c2ncccc2C(=O)O)C[C@H]1O
InChIInChI=1S/C11H14N2O4/c1-17-9-6-13(5-8(9)14)10-7(11(15)16)3-2-4-12-10/h2-4,8-9,14H,5-6H2,1H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyROALEFJRULSVMA-RKDXNWHRSA-N
MW238.24 g/mol
LogP-0.02
Rot. Bonds3

About 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid

2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 129359483) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID129359483
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESCO[C@@H]1CN(c2ncccc2C(=O)O)C[C@H]1O
InChIInChI=1S/C11H14N2O4/c1-17-9-6-13(5-8(9)14)10-7(11(15)16)3-2-4-12-10/h2-4,8-9,14H,5-6H2,1H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyROALEFJRULSVMA-RKDXNWHRSA-N
XLogP-0.02
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 129359483) is 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid is CO[C@@H]1CN(c2ncccc2C(=O)O)C[C@H]1O.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is ROALEFJRULSVMA-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-9-6-13(5-8(9)14)10-7(11(15)16)3-2-4-12-10/h2-4,8-9,14H,5-6H2,1H3,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid?
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 129359483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).