5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 114797982

IUPAC5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(CCO)C2)cn1
InChIInChI=1S/C12H16N2O3/c15-6-4-9-3-5-14(8-9)10-1-2-11(12(16)17)13-7-10/h1-2,7,9,15H,3-6,8H2,(H,16,17)
InChIKeyWIZIZWIEWPWEKC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds4

About 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 114797982) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID114797982
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(CCO)C2)cn1
InChIInChI=1S/C12H16N2O3/c15-6-4-9-3-5-14(8-9)10-1-2-11(12(16)17)13-7-10/h1-2,7,9,15H,3-6,8H2,(H,16,17)
InChIKeyWIZIZWIEWPWEKC-UHFFFAOYSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-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

5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 115490992
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
5-(4-ethyl-3-methylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 113321627
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carboxylic acid
CID 115491013

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 114797982) is 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1ccc(N2CCC(CCO)C2)cn1.
What is the InChIKey of 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is WIZIZWIEWPWEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-6-4-9-3-5-14(8-9)10-1-2-11(12(16)17)13-7-10/h1-2,7,9,15H,3-6,8H2,(H,16,17).
What are the key properties of 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114797982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).