[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate

C10H11NO4 — CID 170110065

IUPAC[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate
SMILESO=COc1cccn([C@@H]2CC[C@@H]2O)c1=O
InChIInChI=1S/C10H11NO4/c12-6-15-9-2-1-5-11(10(9)14)7-3-4-8(7)13/h1-2,5-8,13H,3-4H2/t7-,8+/m1/s1
InChIKeySLTFBCCTZVKODI-SFYZADRCSA-N
MW209.20 g/mol
LogP0.08
Rot. Bonds3

About [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate

[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate (PubChem CID 170110065) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate.

Molecular Properties

Compound Name[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate
PubChem CID170110065
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate
SMILESO=COc1cccn([C@@H]2CC[C@@H]2O)c1=O
InChIInChI=1S/C10H11NO4/c12-6-15-9-2-1-5-11(10(9)14)7-3-4-8(7)13/h1-2,5-8,13H,3-4H2/t7-,8+/m1/s1
InChIKeySLTFBCCTZVKODI-SFYZADRCSA-N
XLogP0.08
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate?
The IUPAC name of [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate (CID 170110065) is [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate.
What is the SMILES notation for [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate?
The canonical SMILES for [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate is O=COc1cccn([C@@H]2CC[C@@H]2O)c1=O.
What is the InChIKey of [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate?
The InChIKey is SLTFBCCTZVKODI-SFYZADRCSA-N. The full InChI is InChI=1S/C10H11NO4/c12-6-15-9-2-1-5-11(10(9)14)7-3-4-8(7)13/h1-2,5-8,13H,3-4H2/t7-,8+/m1/s1.
What are the key properties of [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate?
[1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate has a molecular weight of 209.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl] formate is sourced from PubChem (CID 170110065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).