(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol

C12H17NO — CID 10774084

IUPAC(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
SMILESC[C@@H]1N(Cc2ccccc2)C[C@]1(C)O
InChIInChI=1S/C12H17NO/c1-10-12(2,14)9-13(10)8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyFNAZYZFPDZJJIN-JQWIXIFHSA-N
MW191.27 g/mol
LogP1.64
Rot. Bonds2

About (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol

(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol (PubChem CID 10774084) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
PubChem CID10774084
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
SMILESC[C@@H]1N(Cc2ccccc2)C[C@]1(C)O
InChIInChI=1S/C12H17NO/c1-10-12(2,14)9-13(10)8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12-/m0/s1
InChIKeyFNAZYZFPDZJJIN-JQWIXIFHSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-1-benzyl-2,3-dimethylazetidin-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

Related Compounds

(3S,4R,6R)-1-benzyl-3-methyl-6-phenylpiperidine-3,4-diol
CID 124835491
1-benzyl-3-tert-butyl-2-methylpyrrolidin-3-ol
CID 130546283
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
(1-benzyl-4,4-difluoro-3,3-dimethylpyrrolidin-2-yl)methanol
CID 11843239
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
(3S,4R)-1-benzyl-3-tert-butyl-4-methylpyrrolidin-3-ol
CID 101210615

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol?
The IUPAC name of (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol (CID 10774084) is (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol.
What is the SMILES notation for (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol?
The canonical SMILES for (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol is C[C@@H]1N(Cc2ccccc2)C[C@]1(C)O.
What is the InChIKey of (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol?
The InChIKey is FNAZYZFPDZJJIN-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-12(2,14)9-13(10)8-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol?
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol is sourced from PubChem (CID 10774084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).