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

C12H16N2O3 — CID 104638980

IUPAC5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(O)C1CCN(c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C12H16N2O3/c1-8(15)9-4-5-14(7-9)10-2-3-11(12(16)17)13-6-10/h2-3,6,8-9,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyWAMOASMMSRTXQY-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds3

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

5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 104638980) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID104638980
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(O)C1CCN(c2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C12H16N2O3/c1-8(15)9-4-5-14(7-9)10-2-3-11(12(16)17)13-6-10/h2-3,6,8-9,15H,4-5,7H2,1H3,(H,16,17)
InChIKeyWAMOASMMSRTXQY-UHFFFAOYSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
5-(4-aminopiperidin-1-yl)pyridine-2-carboxylic acid
CID 115760472
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[1-[6-(1-aminoethyl)-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626037
5-(4-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 113321639
(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol
CID 166682628
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
ethane;1-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]ethanol
CID 156652004
5-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 106836148
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
1-[1-[4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942840
methyl 5-[4-(dimethoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 171800424

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 104638980) is 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is CC(O)C1CCN(c2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is WAMOASMMSRTXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)9-4-5-14(7-9)10-2-3-11(12(16)17)13-6-10/h2-3,6,8-9,15H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).