1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol

C13H25NO2 — CID 164640587

IUPAC1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol
SMILESC[C@@H]1N(CCC2(O)CCC2)CCOC1(C)C
InChIInChI=1S/C13H25NO2/c1-11-12(2,3)16-10-9-14(11)8-7-13(15)5-4-6-13/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyJJDOFAOBHRGJLL-NSHDSACASA-N
MW227.35 g/mol
LogP1.79
Rot. Bonds3

About 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol

1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol (PubChem CID 164640587) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol
PubChem CID164640587
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol
SMILESC[C@@H]1N(CCC2(O)CCC2)CCOC1(C)C
InChIInChI=1S/C13H25NO2/c1-11-12(2,3)16-10-9-14(11)8-7-13(15)5-4-6-13/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyJJDOFAOBHRGJLL-NSHDSACASA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol (CID 164640587) is 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol is C[C@@H]1N(CCC2(O)CCC2)CCOC1(C)C.
What is the InChIKey of 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol?
The InChIKey is JJDOFAOBHRGJLL-NSHDSACASA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-12(2,3)16-10-9-14(11)8-7-13(15)5-4-6-13/h11,15H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol?
1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-2,2,3-trimethylmorpholin-4-yl]ethyl]cyclobutan-1-ol is sourced from PubChem (CID 164640587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).