3-[(2S)-azetidin-2-yl]pentan-3-ol

C8H17NO — CID 20741953

IUPAC3-[(2S)-azetidin-2-yl]pentan-3-ol
SMILESCCC(O)(CC)[C@@H]1CCN1
InChIInChI=1S/C8H17NO/c1-3-8(10,4-2)7-5-6-9-7/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYZUNJCPCWLQKGL-ZETCQYMHSA-N
MW143.23 g/mol
LogP0.90
Rot. Bonds3

About 3-[(2S)-azetidin-2-yl]pentan-3-ol

3-[(2S)-azetidin-2-yl]pentan-3-ol (PubChem CID 20741953) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-[(2S)-azetidin-2-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2S)-azetidin-2-yl]pentan-3-ol
PubChem CID20741953
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-[(2S)-azetidin-2-yl]pentan-3-ol
SMILESCCC(O)(CC)[C@@H]1CCN1
InChIInChI=1S/C8H17NO/c1-3-8(10,4-2)7-5-6-9-7/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyYZUNJCPCWLQKGL-ZETCQYMHSA-N
XLogP0.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-azetidin-2-yl]pentan-3-ol?
The IUPAC name of 3-[(2S)-azetidin-2-yl]pentan-3-ol (CID 20741953) is 3-[(2S)-azetidin-2-yl]pentan-3-ol.
What is the SMILES notation for 3-[(2S)-azetidin-2-yl]pentan-3-ol?
The canonical SMILES for 3-[(2S)-azetidin-2-yl]pentan-3-ol is CCC(O)(CC)[C@@H]1CCN1.
What is the InChIKey of 3-[(2S)-azetidin-2-yl]pentan-3-ol?
The InChIKey is YZUNJCPCWLQKGL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(10,4-2)7-5-6-9-7/h7,9-10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of 3-[(2S)-azetidin-2-yl]pentan-3-ol?
3-[(2S)-azetidin-2-yl]pentan-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-azetidin-2-yl]pentan-3-ol is sourced from PubChem (CID 20741953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).