(2S,3R)-2-benzyl-3-methoxyazetidine

C11H15NO — CID 118903458

IUPAC(2S,3R)-2-benzyl-3-methoxyazetidine
SMILESCO[C@@H]1CN[C@H]1Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-13-11-8-12-10(11)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyGPCQLYCBYUULPZ-WDEREUQCSA-N
MW177.25 g/mol
LogP1.22
Rot. Bonds3

About (2S,3R)-2-benzyl-3-methoxyazetidine

(2S,3R)-2-benzyl-3-methoxyazetidine (PubChem CID 118903458) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-3-methoxyazetidine.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-3-methoxyazetidine
PubChem CID118903458
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S,3R)-2-benzyl-3-methoxyazetidine
SMILESCO[C@@H]1CN[C@H]1Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-13-11-8-12-10(11)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyGPCQLYCBYUULPZ-WDEREUQCSA-N
XLogP1.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-3-methoxyazetidine?
The IUPAC name of (2S,3R)-2-benzyl-3-methoxyazetidine (CID 118903458) is (2S,3R)-2-benzyl-3-methoxyazetidine.
What is the SMILES notation for (2S,3R)-2-benzyl-3-methoxyazetidine?
The canonical SMILES for (2S,3R)-2-benzyl-3-methoxyazetidine is CO[C@@H]1CN[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-3-methoxyazetidine?
The InChIKey is GPCQLYCBYUULPZ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15NO/c1-13-11-8-12-10(11)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-3-methoxyazetidine?
(2S,3R)-2-benzyl-3-methoxyazetidine has a molecular weight of 177.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-3-methoxyazetidine is sourced from PubChem (CID 118903458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).