[(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium

C14H18NO4+ — CID 135037769

IUPAC[(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium
SMILESCC1(C)OCC([C@H]2[C@@H]([OH2+])C(=O)N2c2ccccc2)O1
InChIInChI=1S/C14H17NO4/c1-14(2)18-8-10(19-14)11-12(16)13(17)15(11)9-6-4-3-5-7-9/h3-7,10-12,16H,8H2,1-2H3/p+1/t10?,11-,12+/m0/s1
InChIKeyCPLOUIFFWATGTM-GLXQMMQGSA-O
MW264.30 g/mol
LogP0.65
Rot. Bonds2

About [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium

[(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium (PubChem CID 135037769) has the molecular formula C14H18NO4+ and a molecular weight of 264.30 g/mol. Its IUPAC name is [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium.

Molecular Properties

Compound Name[(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium
PubChem CID135037769
Molecular FormulaC14H18NO4+
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name[(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium
SMILESCC1(C)OCC([C@H]2[C@@H]([OH2+])C(=O)N2c2ccccc2)O1
InChIInChI=1S/C14H17NO4/c1-14(2)18-8-10(19-14)11-12(16)13(17)15(11)9-6-4-3-5-7-9/h3-7,10-12,16H,8H2,1-2H3/p+1/t10?,11-,12+/m0/s1
InChIKeyCPLOUIFFWATGTM-GLXQMMQGSA-O
XLogP0.65
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium?
The IUPAC name of [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium (CID 135037769) is [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium.
What is the SMILES notation for [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium?
The canonical SMILES for [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium is CC1(C)OCC([C@H]2[C@@H]([OH2+])C(=O)N2c2ccccc2)O1.
What is the InChIKey of [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium?
The InChIKey is CPLOUIFFWATGTM-GLXQMMQGSA-O. The full InChI is InChI=1S/C14H17NO4/c1-14(2)18-8-10(19-14)11-12(16)13(17)15(11)9-6-4-3-5-7-9/h3-7,10-12,16H,8H2,1-2H3/p+1/t10?,11-,12+/m0/s1.
What are the key properties of [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium?
[(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium has a molecular weight of 264.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-oxo-1-phenylazetidin-3-yl]oxidanium is sourced from PubChem (CID 135037769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).