4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 112625915

IUPAC4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(O)C1CCN(c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O3/c1-8(15)9-3-5-14(7-9)10-2-4-13-11(6-10)12(16)17/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,16,17)
InChIKeyMKABYOYGKLROSI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds3

About 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 112625915) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID112625915
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(O)C1CCN(c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O3/c1-8(15)9-3-5-14(7-9)10-2-4-13-11(6-10)12(16)17/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,16,17)
InChIKeyMKABYOYGKLROSI-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 112625915) is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is CC(O)C1CCN(c2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is MKABYOYGKLROSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)9-3-5-14(7-9)10-2-4-13-11(6-10)12(16)17/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,16,17).
What are the key properties of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
4-[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 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 112625915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).