2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid

C11H14N2O4 — CID 121203872

IUPAC2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCOC1CN(c2ncccc2C(=O)O)CC1O
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)
InChIKeyROALEFJRULSVMA-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.02
Rot. Bonds3

About 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid

2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 121203872) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID121203872
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCOC1CN(c2ncccc2C(=O)O)CC1O
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)
InChIKeyROALEFJRULSVMA-UHFFFAOYSA-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

Analyze 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129359483
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
(3R,4R)-1-(3-amino-2-pyridinyl)-4-methoxypyrrolidin-3-ol
CID 129359554
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)methyl]piperidin-1-yl]pyridine-3-carboxylate
CID 134413003
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 55237033

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 121203872) is 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid is COC1CN(c2ncccc2C(=O)O)CC1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is ROALEFJRULSVMA-UHFFFAOYSA-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).
What are the key properties of 2-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid?
2-(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-(3-hydroxy-4-methoxypyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 121203872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).