(2S)-1,2-dimethylazetidine

C5H11N — CID 90700177

IUPAC(2S)-1,2-dimethylazetidine
SMILESC[C@H]1CCN1C
InChIInChI=1S/C5H11N/c1-5-3-4-6(5)2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyMKPZDBNKUJHYCK-YFKPBYRVSA-N
MW85.15 g/mol
LogP0.71
Rot. Bonds

About (2S)-1,2-dimethylazetidine

(2S)-1,2-dimethylazetidine (PubChem CID 90700177) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is (2S)-1,2-dimethylazetidine.

Molecular Properties

Compound Name(2S)-1,2-dimethylazetidine
PubChem CID90700177
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC Name(2S)-1,2-dimethylazetidine
SMILESC[C@H]1CCN1C
InChIInChI=1S/C5H11N/c1-5-3-4-6(5)2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyMKPZDBNKUJHYCK-YFKPBYRVSA-N
XLogP0.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethylazetidine?
The IUPAC name of (2S)-1,2-dimethylazetidine (CID 90700177) is (2S)-1,2-dimethylazetidine.
What is the SMILES notation for (2S)-1,2-dimethylazetidine?
The canonical SMILES for (2S)-1,2-dimethylazetidine is C[C@H]1CCN1C.
What is the InChIKey of (2S)-1,2-dimethylazetidine?
The InChIKey is MKPZDBNKUJHYCK-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11N/c1-5-3-4-6(5)2/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-1,2-dimethylazetidine?
(2S)-1,2-dimethylazetidine has a molecular weight of 85.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethylazetidine is sourced from PubChem (CID 90700177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).