2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid

C13H16N2O4 — CID 112624740

IUPAC2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCC(O)C1CCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C13H16N2O4/c1-8(16)9-4-6-15(7-9)12(17)11-10(13(18)19)3-2-5-14-11/h2-3,5,8-9,16H,4,6-7H2,1H3,(H,18,19)
InChIKeyGUADHHAVRFNODM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.62
Rot. Bonds3

About 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid

2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 112624740) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID112624740
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCC(O)C1CCN(C(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C13H16N2O4/c1-8(16)9-4-6-15(7-9)12(17)11-10(13(18)19)3-2-5-14-11/h2-3,5,8-9,16H,4,6-7H2,1H3,(H,18,19)
InChIKeyGUADHHAVRFNODM-UHFFFAOYSA-N
XLogP0.62
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 110023160
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
CID 115966148
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
2-(3,4,5-trimethylpiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 114543527
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63614455
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid (CID 112624740) is 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid is CC(O)C1CCN(C(=O)c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is GUADHHAVRFNODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(16)9-4-6-15(7-9)12(17)11-10(13(18)19)3-2-5-14-11/h2-3,5,8-9,16H,4,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 112624740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).