[(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol

C12H25NO — CID 68762530

IUPAC[(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol
SMILESCC[C@@H]1CC(N)(CO)[C@H]1CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-9-6-12(13,8-14)10(9)7-11(2,3)4/h9-10,14H,5-8,13H2,1-4H3/t9-,10+,12?/m1/s1
InChIKeyUJKGYVBDIFHOPY-WFCWDVHWSA-N
MW199.34 g/mol
LogP2.16
Rot. Bonds3

About [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol

[(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol (PubChem CID 68762530) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol.

Molecular Properties

Compound Name[(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol
PubChem CID68762530
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol
SMILESCC[C@@H]1CC(N)(CO)[C@H]1CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-9-6-12(13,8-14)10(9)7-11(2,3)4/h9-10,14H,5-8,13H2,1-4H3/t9-,10+,12?/m1/s1
InChIKeyUJKGYVBDIFHOPY-WFCWDVHWSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol?
The IUPAC name of [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol (CID 68762530) is [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol.
What is the SMILES notation for [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol?
The canonical SMILES for [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol is CC[C@@H]1CC(N)(CO)[C@H]1CC(C)(C)C.
What is the InChIKey of [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol?
The InChIKey is UJKGYVBDIFHOPY-WFCWDVHWSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-9-6-12(13,8-14)10(9)7-11(2,3)4/h9-10,14H,5-8,13H2,1-4H3/t9-,10+,12?/m1/s1.
What are the key properties of [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol?
[(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-amino-2-(2,2-dimethylpropyl)-3-ethylcyclobutyl]methanol is sourced from PubChem (CID 68762530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).