1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol

C11H21NO2 — CID 130993601

IUPAC1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol
SMILESCC1(C)CCC(CN2CC(O)C2)C1O
InChIInChI=1S/C11H21NO2/c1-11(2)4-3-8(10(11)14)5-12-6-9(13)7-12/h8-10,13-14H,3-7H2,1-2H3
InChIKeyIHKGDQXPQFHJHT-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.46
Rot. Bonds2

About 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol

1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol (PubChem CID 130993601) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol
PubChem CID130993601
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol
SMILESCC1(C)CCC(CN2CC(O)C2)C1O
InChIInChI=1S/C11H21NO2/c1-11(2)4-3-8(10(11)14)5-12-6-9(13)7-12/h8-10,13-14H,3-7H2,1-2H3
InChIKeyIHKGDQXPQFHJHT-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol (CID 130993601) is 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol is CC1(C)CCC(CN2CC(O)C2)C1O.
What is the InChIKey of 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol?
The InChIKey is IHKGDQXPQFHJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)4-3-8(10(11)14)5-12-6-9(13)7-12/h8-10,13-14H,3-7H2,1-2H3.
What are the key properties of 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol?
1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol has a molecular weight of 199.29 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3,3-dimethylcyclopentyl)methyl]azetidin-3-ol is sourced from PubChem (CID 130993601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).