(3S,4S)-3,4-dimethylazetidin-2-one

C5H9NO — CID 55287321

IUPAC(3S,4S)-3,4-dimethylazetidin-2-one
SMILESC[C@@H]1NC(=O)[C@H]1C
InChIInChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4-/m0/s1
InChIKeyHUCDNALJLARZTQ-IMJSIDKUSA-N
MW99.13 g/mol
LogP0.14
Rot. Bonds

About (3S,4S)-3,4-dimethylazetidin-2-one

(3S,4S)-3,4-dimethylazetidin-2-one (PubChem CID 55287321) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethylazetidin-2-one
PubChem CID55287321
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(3S,4S)-3,4-dimethylazetidin-2-one
SMILESC[C@@H]1NC(=O)[C@H]1C
InChIInChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4-/m0/s1
InChIKeyHUCDNALJLARZTQ-IMJSIDKUSA-N
XLogP0.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S,4S)-3,4-dimethylazetidin-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,4S)-3,4-dimethylazetidin-2-one?
The IUPAC name of (3S,4S)-3,4-dimethylazetidin-2-one (CID 55287321) is (3S,4S)-3,4-dimethylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3,4-dimethylazetidin-2-one?
The canonical SMILES for (3S,4S)-3,4-dimethylazetidin-2-one is C[C@@H]1NC(=O)[C@H]1C.
What is the InChIKey of (3S,4S)-3,4-dimethylazetidin-2-one?
The InChIKey is HUCDNALJLARZTQ-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4(2)6-5(3)7/h3-4H,1-2H3,(H,6,7)/t3-,4-/m0/s1.
What are the key properties of (3S,4S)-3,4-dimethylazetidin-2-one?
(3S,4S)-3,4-dimethylazetidin-2-one has a molecular weight of 99.13 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethylazetidin-2-one is sourced from PubChem (CID 55287321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).