trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol

C7H13NO — CID 131701483

IUPACtrans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1N1CCC1
InChIInChI=1S/C7H13NO/c9-7-3-2-6(7)8-4-1-5-8/h6-7,9H,1-5H2/t6-,7-/m1/s1
InChIKeyRJWDLVZERKSWDM-RNFRBKRXSA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds1

About trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol

trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol (PubChem CID 131701483) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol
PubChem CID131701483
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nametrans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1N1CCC1
InChIInChI=1S/C7H13NO/c9-7-3-2-6(7)8-4-1-5-8/h6-7,9H,1-5H2/t6-,7-/m1/s1
InChIKeyRJWDLVZERKSWDM-RNFRBKRXSA-N
XLogP0.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol (CID 131701483) is trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol is O[C@@H]1CC[C@H]1N1CCC1.
What is the InChIKey of trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol?
The InChIKey is RJWDLVZERKSWDM-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13NO/c9-7-3-2-6(7)8-4-1-5-8/h6-7,9H,1-5H2/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol?
trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol has a molecular weight of 127.19 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(azetidin-1-yl)cyclobutan-1-ol is sourced from PubChem (CID 131701483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).