3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol

C9H19NO2 — CID 91314722

IUPAC3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol
SMILESCC(O)C(C)C1CC(CCO)N1
InChIInChI=1S/C9H19NO2/c1-6(7(2)12)9-5-8(10-9)3-4-11/h6-12H,3-5H2,1-2H3
InChIKeyLIJSCNFGXSQFKV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.12
Rot. Bonds4

About 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol

3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol (PubChem CID 91314722) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol
PubChem CID91314722
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol
SMILESCC(O)C(C)C1CC(CCO)N1
InChIInChI=1S/C9H19NO2/c1-6(7(2)12)9-5-8(10-9)3-4-11/h6-12H,3-5H2,1-2H3
InChIKeyLIJSCNFGXSQFKV-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol?
The IUPAC name of 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol (CID 91314722) is 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol?
The canonical SMILES for 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol is CC(O)C(C)C1CC(CCO)N1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol?
The InChIKey is LIJSCNFGXSQFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6(7(2)12)9-5-8(10-9)3-4-11/h6-12H,3-5H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol?
3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)azetidin-2-yl]butan-2-ol is sourced from PubChem (CID 91314722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).