trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol

C5H11NO — CID 55287310

IUPACtrans-(1R,2R)-2-(methylamino)cyclobutan-1-ol
SMILESCN[C@@H]1CC[C@H]1O
InChIInChI=1S/C5H11NO/c1-6-4-2-3-5(4)7/h4-7H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyDQLUYZIXOIJVAY-RFZPGFLSSA-N
MW101.15 g/mol
LogP-0.27
Rot. Bonds1

About trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol

trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol (PubChem CID 55287310) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(methylamino)cyclobutan-1-ol
PubChem CID55287310
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Nametrans-(1R,2R)-2-(methylamino)cyclobutan-1-ol
SMILESCN[C@@H]1CC[C@H]1O
InChIInChI=1S/C5H11NO/c1-6-4-2-3-5(4)7/h4-7H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyDQLUYZIXOIJVAY-RFZPGFLSSA-N
XLogP-0.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol (CID 55287310) is trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol is CN[C@@H]1CC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol?
The InChIKey is DQLUYZIXOIJVAY-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H11NO/c1-6-4-2-3-5(4)7/h4-7H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol?
trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol has a molecular weight of 101.15 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(methylamino)cyclobutan-1-ol is sourced from PubChem (CID 55287310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).