1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one

C8H15NO3 — CID 177198291

IUPAC1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
SMILESCC(C)(C)O[C@@H](O)N1CC(=O)C1
InChIInChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h7,11H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyMMBNVTDBOVOJMD-SSDOTTSWSA-N
MW173.21 g/mol
LogP-0.04
Rot. Bonds2

About 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one

1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one (PubChem CID 177198291) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one.

Molecular Properties

Compound Name1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
PubChem CID177198291
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one
SMILESCC(C)(C)O[C@@H](O)N1CC(=O)C1
InChIInChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h7,11H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyMMBNVTDBOVOJMD-SSDOTTSWSA-N
XLogP-0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one?
The IUPAC name of 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one (CID 177198291) is 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one.
What is the SMILES notation for 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one?
The canonical SMILES for 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one is CC(C)(C)O[C@@H](O)N1CC(=O)C1.
What is the InChIKey of 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one?
The InChIKey is MMBNVTDBOVOJMD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h7,11H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one?
1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one has a molecular weight of 173.21 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azetidin-3-one is sourced from PubChem (CID 177198291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).