3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol

C10H21NO — CID 20741954

IUPAC3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(C(C)C)[C@@H]1CCN1
InChIInChI=1S/C10H21NO/c1-7(2)10(12,8(3)4)9-5-6-11-9/h7-9,11-12H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyWNMUOGVCZAHGDA-VIFPVBQESA-N
MW171.28 g/mol
LogP1.39
Rot. Bonds3

About 3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol

3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol (PubChem CID 20741954) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol
PubChem CID20741954
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(C(C)C)[C@@H]1CCN1
InChIInChI=1S/C10H21NO/c1-7(2)10(12,8(3)4)9-5-6-11-9/h7-9,11-12H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyWNMUOGVCZAHGDA-VIFPVBQESA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.39
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]-2,4-dimethylpentan-3-ol?
The IUPAC name of 3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol (CID 20741954) is 3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol?
The canonical SMILES for 3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol is CC(C)C(O)(C(C)C)[C@@H]1CCN1.
What is the InChIKey of 3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol?
The InChIKey is WNMUOGVCZAHGDA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)10(12,8(3)4)9-5-6-11-9/h7-9,11-12H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of 3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol?
3-[(2S)-azetidin-2-yl]-2,4-dimethylpentan-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.39, 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]-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 20741954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).