(3S,4R)-1,3,4-trimethylazetidin-2-one

C6H11NO — CID 59947134

IUPAC(3S,4R)-1,3,4-trimethylazetidin-2-one
SMILESC[C@@H]1C(=O)N(C)[C@@H]1C
InChIInChI=1S/C6H11NO/c1-4-5(2)7(3)6(4)8/h4-5H,1-3H3/t4-,5+/m0/s1
InChIKeyCKUCFHQOPXMLMM-CRCLSJGQSA-N
MW113.16 g/mol
LogP0.48
Rot. Bonds

About (3S,4R)-1,3,4-trimethylazetidin-2-one

(3S,4R)-1,3,4-trimethylazetidin-2-one (PubChem CID 59947134) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3S,4R)-1,3,4-trimethylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1,3,4-trimethylazetidin-2-one
PubChem CID59947134
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3S,4R)-1,3,4-trimethylazetidin-2-one
SMILESC[C@@H]1C(=O)N(C)[C@@H]1C
InChIInChI=1S/C6H11NO/c1-4-5(2)7(3)6(4)8/h4-5H,1-3H3/t4-,5+/m0/s1
InChIKeyCKUCFHQOPXMLMM-CRCLSJGQSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,4R)-1,3,4-trimethylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,3,4-trimethylazetidin-2-one?
The IUPAC name of (3S,4R)-1,3,4-trimethylazetidin-2-one (CID 59947134) is (3S,4R)-1,3,4-trimethylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1,3,4-trimethylazetidin-2-one?
The canonical SMILES for (3S,4R)-1,3,4-trimethylazetidin-2-one is C[C@@H]1C(=O)N(C)[C@@H]1C.
What is the InChIKey of (3S,4R)-1,3,4-trimethylazetidin-2-one?
The InChIKey is CKUCFHQOPXMLMM-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)7(3)6(4)8/h4-5H,1-3H3/t4-,5+/m0/s1.
What are the key properties of (3S,4R)-1,3,4-trimethylazetidin-2-one?
(3S,4R)-1,3,4-trimethylazetidin-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,3,4-trimethylazetidin-2-one is sourced from PubChem (CID 59947134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).