(2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine

C12H17NO — CID 170368701

IUPAC(2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine
SMILESCO[C@@](C)(c1ccccc1)[C@@H]1CCN1
InChIInChI=1S/C12H17NO/c1-12(14-2,11-8-9-13-11)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyOMGIFORNDSXVTO-RYUDHWBXSA-N
MW191.27 g/mol
LogP1.91
Rot. Bonds3

About (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine

(2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine (PubChem CID 170368701) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine
PubChem CID170368701
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine
SMILESCO[C@@](C)(c1ccccc1)[C@@H]1CCN1
InChIInChI=1S/C12H17NO/c1-12(14-2,11-8-9-13-11)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyOMGIFORNDSXVTO-RYUDHWBXSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine?
The IUPAC name of (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine (CID 170368701) is (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine.
What is the SMILES notation for (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine?
The canonical SMILES for (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine is CO[C@@](C)(c1ccccc1)[C@@H]1CCN1.
What is the InChIKey of (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine?
The InChIKey is OMGIFORNDSXVTO-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(14-2,11-8-9-13-11)10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine?
(2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine has a molecular weight of 191.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-methoxy-1-phenylethyl]azetidine is sourced from PubChem (CID 170368701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).