1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol

C10H22N2O — CID 67773354

IUPAC1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol
SMILESCN[C@](C)(CN1CC(O)C1)C(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)10(3,11-4)7-12-5-9(13)6-12/h8-9,11,13H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyYKMDUOZHPBIQMS-SNVBAGLBSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds4

About 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol

1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol (PubChem CID 67773354) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol
PubChem CID67773354
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol
SMILESCN[C@](C)(CN1CC(O)C1)C(C)C
InChIInChI=1S/C10H22N2O/c1-8(2)10(3,11-4)7-12-5-9(13)6-12/h8-9,11,13H,5-7H2,1-4H3/t10-/m1/s1
InChIKeyYKMDUOZHPBIQMS-SNVBAGLBSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol 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 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol?
The IUPAC name of 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol (CID 67773354) is 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol.
What is the SMILES notation for 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol?
The canonical SMILES for 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol is CN[C@](C)(CN1CC(O)C1)C(C)C.
What is the InChIKey of 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol?
The InChIKey is YKMDUOZHPBIQMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10(3,11-4)7-12-5-9(13)6-12/h8-9,11,13H,5-7H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol?
1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol has a molecular weight of 186.30 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3-dimethyl-2-(methylamino)butyl]azetidin-3-ol is sourced from PubChem (CID 67773354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).