4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid

C11H13NO4 — CID 139349633

IUPAC4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O[C@H]2CC[C@@H](O)C2)ccn1
InChIInChI=1S/C11H13NO4/c13-7-1-2-8(5-7)16-9-3-4-12-10(6-9)11(14)15/h3-4,6-8,13H,1-2,5H2,(H,14,15)/t7-,8+/m1/s1
InChIKeyMUWDBFVZCLEFKO-SFYZADRCSA-N
MW223.23 g/mol
LogP1.07
Rot. Bonds3

About 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid

4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid (PubChem CID 139349633) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid
PubChem CID139349633
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid
SMILESO=C(O)c1cc(O[C@H]2CC[C@@H](O)C2)ccn1
InChIInChI=1S/C11H13NO4/c13-7-1-2-8(5-7)16-9-3-4-12-10(6-9)11(14)15/h3-4,6-8,13H,1-2,5H2,(H,14,15)/t7-,8+/m1/s1
InChIKeyMUWDBFVZCLEFKO-SFYZADRCSA-N
XLogP1.07
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid?
The IUPAC name of 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid (CID 139349633) is 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid is O=C(O)c1cc(O[C@H]2CC[C@@H](O)C2)ccn1.
What is the InChIKey of 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid?
The InChIKey is MUWDBFVZCLEFKO-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13NO4/c13-7-1-2-8(5-7)16-9-3-4-12-10(6-9)11(14)15/h3-4,6-8,13H,1-2,5H2,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid?
4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3R)-3-hydroxycyclopentyl]oxypyridine-2-carboxylic acid is sourced from PubChem (CID 139349633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).