[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol

C13H18N2O2 — CID 46190781

IUPAC[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C13H18N2O2/c16-7-10-4-13(10)9-3-12(6-14-5-9)17-8-11-1-2-15-11/h3,5-6,10-11,13,15-16H,1-2,4,7-8H2/t10-,11-,13+/m0/s1
InChIKeyTZJFDAOPRQVERK-GMXVVIOVSA-N
MW234.30 g/mol
LogP0.92
Rot. Bonds5

About [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol

[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol (PubChem CID 46190781) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol
PubChem CID46190781
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol
SMILESOC[C@@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
InChIInChI=1S/C13H18N2O2/c16-7-10-4-13(10)9-3-12(6-14-5-9)17-8-11-1-2-15-11/h3,5-6,10-11,13,15-16H,1-2,4,7-8H2/t10-,11-,13+/m0/s1
InChIKeyTZJFDAOPRQVERK-GMXVVIOVSA-N
XLogP0.92
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol (CID 46190781) is [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol is OC[C@@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1.
What is the InChIKey of [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol?
The InChIKey is TZJFDAOPRQVERK-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-7-10-4-13(10)9-3-12(6-14-5-9)17-8-11-1-2-15-11/h3,5-6,10-11,13,15-16H,1-2,4,7-8H2/t10-,11-,13+/m0/s1.
What are the key properties of [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol?
[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol has a molecular weight of 234.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol is sourced from PubChem (CID 46190781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).