(3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one

C7H13NO2 — CID 11480506

IUPAC(3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one
SMILESC[C@H]1[C@H](CCO)C(=O)N1C
InChIInChI=1S/C7H13NO2/c1-5-6(3-4-9)7(10)8(5)2/h5-6,9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyJBBSBLYBIXKVPJ-WDSKDSINSA-N
MW143.19 g/mol
LogP-0.15
Rot. Bonds2

About (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one

(3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one (PubChem CID 11480506) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one
PubChem CID11480506
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one
SMILESC[C@H]1[C@H](CCO)C(=O)N1C
InChIInChI=1S/C7H13NO2/c1-5-6(3-4-9)7(10)8(5)2/h5-6,9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyJBBSBLYBIXKVPJ-WDSKDSINSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-3-(2-hydroxyethyl)-1,4-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-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one?
The IUPAC name of (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one (CID 11480506) is (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one is C[C@H]1[C@H](CCO)C(=O)N1C.
What is the InChIKey of (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one?
The InChIKey is JBBSBLYBIXKVPJ-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-6(3-4-9)7(10)8(5)2/h5-6,9H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one?
(3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(2-hydroxyethyl)-1,4-dimethylazetidin-2-one is sourced from PubChem (CID 11480506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).